UCSF

ZINC19838375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) 2.96 2.95 -10.9 2 3 0 49 227.691 4
Mid Mid (pH 6-8) 2.96 3.61 -42.12 1 3 -1 52 226.683 4

Activity (Go SEA)

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