UCSF

ZINC20149342

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 26 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) 0.19 5.44 -39.38 2 7 1 76 358.466 6
Mid Mid (pH 6-8) 0.19 4.99 -12.18 1 7 0 74 357.458 6

Activity (Go SEA)

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