UCSF

ZINC32118592

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) 0.73 5.6 -55.65 0 5 -1 70 270.33 8
Lo Low (pH 4.5-6) 0.73 4.48 -13.32 1 5 0 67 271.338 8

Activity (Go SEA)

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