UCSF

ZINC40189167

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.68 9.21 -12.65 1 4 0 47 325.387 6
Lo Low (pH 4.5-6) 3.68 10.51 -34.42 2 4 1 48 326.395 6

Activity (Go SEA)

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