UCSF

ZINC19888825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 22 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) 3.24 7.72 -34.26 1 3 1 11 367.355 4
Mid Mid (pH 6-8) 3.24 10.02 -111.3 2 3 2 12 368.363 4
Mid Mid (pH 6-8) 3.24 7.78 -42.39 1 3 1 11 367.355 4

Activity (Go SEA)

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