UCSF

ZINC32247283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 2.28 7.3 -11.85 1 4 0 45 287.338 5
Lo Low (pH 4.5-6) 2.28 7.57 -40.86 2 4 1 46 288.346 5

Activity (Go SEA)

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