UCSF

ZINC38570711

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 29 Yes

Popular Name: (2S)-3-[(3S)-5-hydroxy-3H-indol-3-yl]-2-[3-(2H-indol-3-yl)propanoylamino]propanoic (2S)-3-[(3S)-5-hydroxy-3H-indol-…

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Vendors

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) 0.78 7.46 -55.8 3 7 -1 118 390.419 7 ↓
Lo Low (pH 4.5-6) 0.78 7.33 -59.39 4 7 0 119 391.427 7 ↓
Lo Low (pH 4.5-6) 0.78 7.91 -64.52 4 7 0 119 391.427 7 ↓

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

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