UCSF

ZINC65731297

Substance Information

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

Download: MOL2 SDF SMILES Flexibase

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 0.7 -126.23 17 15 2 319 747.979 24
Hi High (pH 8-9.5) -5.13 0.01 -65.2 15 15 0 315 745.963 24
Mid Mid (pH 6-8) -5.13 0.99 -106.45 16 15 1 317 746.971 24
Mid Mid (pH 6-8) -5.13 0.35 -75.97 16 15 1 317 746.971 24
Lo Low (pH 4.5-6) -5.13 2.27 -424.6 20 15 5 327 751.003 24
Lo Low (pH 4.5-6) -5.13 2.78 -294.75 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.