UCSF

ZINC42188079

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 15 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) 2.07 3.52 -42.06 4 3 1 57 213.345 5
Mid Mid (pH 6-8) 2.07 3.19 -6.35 3 3 0 55 212.337 5

Activity (Go SEA)

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