UCSF

ZINC20086419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 13 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) 2.74 6.17 -38.22 2 3 1 43 188.291 8
Mid Mid (pH 6-8) 2.74 4.89 -4.68 1 3 0 38 187.283 8

Activity (Go SEA)

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