UCSF

ZINC59196898

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 14 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) -0.96 0.99 -50.53 5 3 1 63 195.286 3
Lo Low (pH 4.5-6) -0.96 1.32 -138.49 6 3 2 65 196.294 3

Activity (Go SEA)

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