UCSF

ZINC40865045

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 14 No

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) 0.82 4.04 -31.25 2 3 1 38 211.31 2
Mid Mid (pH 6-8) 0.82 3.57 -6.02 1 3 0 36 210.302 2

Activity (Go SEA)

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