UCSF

ZINC07314519

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2006 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) 3.85 8.99 -38.82 2 4 1 37 339.459 6
Mid Mid (pH 6-8) 3.85 6.66 -6.56 1 4 0 36 338.451 6

Activity (Go SEA)

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