UCSF

ZINC32056821

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 0.81 3.23 -42.71 3 4 1 49 271.356 9
Lo Low (pH 4.5-6) 0.81 4.69 -119.73 4 4 2 51 272.364 9

Activity (Go SEA)

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