UCSF

ZINC32152325

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 2.71 6.9 -10.84 1 4 0 45 275.739 3
Lo Low (pH 4.5-6) 2.71 7.17 -44.52 2 4 1 46 276.747 3

Activity (Go SEA)

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