UCSF

ZINC19890781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 24 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) 1.84 3.88 -25.08 2 7 0 77 329.404 3
Mid Mid (pH 6-8) 1.85 7.2 -55.51 3 7 1 78 330.412 3

Activity (Go SEA)

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