UCSF

ZINC59469590

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 20 Yes

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) 7.08 13.06 -2.78 0 1 0 3 279.443 11
Lo Low (pH 4.5-6) 7.08 13.11 -20.99 1 1 0 4 280.451 11

Activity (Go SEA)

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