UCSF

ZINC32150991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 12 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) 2.80 6.17 -6.05 0 1 0 13 157.216 0
Lo Low (pH 4.5-6) 2.80 6.58 -29.37 1 1 1 14 158.224 0

Activity (Go SEA)

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