UCSF

ZINC32445807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2009 25 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) 3.98 10.81 -49.89 2 4 1 43 339.459 6
Mid Mid (pH 6-8) 3.98 8.67 -13.15 1 4 0 42 338.451 6

Activity (Go SEA)

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