UCSF

ZINC33588179

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 28 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) 0.84 8.79 -74.38 1 7 0 91 381.432 8
Lo Low (pH 4.5-6) 0.84 7.82 -48.8 2 7 1 88 382.44 8

Activity (Go SEA)

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