UCSF

ZINC42445161

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.84 2.38 -37.88 4 5 1 72 218.321 8
Mid Mid (pH 6-8) 0.84 0.51 -5.57 3 5 0 71 217.313 8

Activity (Go SEA)

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