UCSF

ZINC32012451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 0.11 4.37 -51.85 0 5 -1 74 210.209 5
Lo Low (pH 4.5-6) 0.11 3.25 -13.21 1 5 0 71 211.217 5

Activity (Go SEA)

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