UCSF

ZINC31706682

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 38 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) -0.85 -7.28 -59.52 7 15 -1 261 551.414 6
Hi High (pH 8-9.5) -0.85 -6.29 -108.11 6 15 -2 263 550.406 6

Activity (Go SEA)

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