UCSF

ZINC65731300

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 53 No

Popular Name: (2R,3S,4S,7R)-2,7,11-triamino-3-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-2-[(2R,3S)-2-amino-3-met (2R,3S,4S,7R)-2,7,11-triamino-3-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.13 -0.95 -136.54 17 15 2 319 747.979 24 ↓
Hi High (pH 8-9.5) -5.13 -1.56 -68.87 15 15 0 315 745.963 24 ↓
Mid Mid (pH 6-8) -5.13 0.85 -131.31 16 15 1 317 746.971 24 ↓
Mid Mid (pH 6-8) -5.13 -1.27 -74.86 16 15 1 317 746.971 24 ↓
Lo Low (pH 4.5-6) -5.13 0.77 -427.53 20 15 5 327 751.003 24 ↓
Lo Low (pH 4.5-6) -5.13 2.58 -335.58 19 15 4 325 749.995 24 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.