UCSF

ZINC32903914

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 31 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) 0.68 3.29 -26.07 2 8 0 112 442.541 9
Lo Low (pH 4.5-6) 0.68 5.64 -63.71 3 8 1 113 443.549 9

Activity (Go SEA)

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