UCSF

ZINC33723332

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 32 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) 2.55 11.1 -79.04 1 7 0 87 437.54 11
Lo Low (pH 4.5-6) 2.55 9.81 -62.59 2 7 1 84 438.548 11

Activity (Go SEA)

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