UCSF

ZINC20968148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 28 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) 6.38 12.9 -40.68 2 4 1 35 414.054 17
Mid Mid (pH 6-8) 6.38 11.81 -52.11 2 4 1 38 414.054 17

Activity (Go SEA)

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