UCSF

ZINC19919172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 17 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) 3.19 7.3 -40.14 2 2 1 20 235.395 8
Mid Mid (pH 6-8) 3.19 8.11 -32.52 2 2 1 16 235.395 8

Activity (Go SEA)

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