UCSF

ZINC19901147

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 3.44 8.14 -114.63 3 3 2 30 302.409 9
Mid Mid (pH 6-8) 3.44 6.79 -34.31 2 3 1 26 301.401 9

Activity (Go SEA)

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