UCSF

ZINC37031572

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.48 3.64 -45.97 4 3 1 57 271.793 2
Hi High (pH 8-9.5) 0.48 3.31 -8.73 3 3 0 55 270.785 2

Activity (Go SEA)

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