UCSF

ZINC20129200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 20 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) -0.35 5.2 -47.28 2 6 1 60 281.38 6
Mid Mid (pH 6-8) -0.35 6.62 -118.73 3 6 2 65 282.388 6
Mid Mid (pH 6-8) -0.35 4.1 -53.57 2 6 1 64 281.38 6

Activity (Go SEA)

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