UCSF

ZINC33293665

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 30 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) 4.25 9.64 -52.49 0 8 -1 102 427.458 6
Lo Low (pH 4.5-6) 0.02 10.03 -63.23 1 8 0 101 428.466 7

Activity (Go SEA)

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