UCSF

ZINC42407812

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 2.36 1.57 -64.57 2 4 0 65 227.333 5
Mid Mid (pH 6-8) 1.90 3.07 -51.93 3 4 1 62 228.341 5
Mid Mid (pH 6-8) 1.90 3.65 -48.1 3 4 1 62 228.341 5

Activity (Go SEA)

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