UCSF

ZINC39293827

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 2.52 3.99 -10.63 2 4 0 53 341.432 1
Mid Mid (pH 6-8) 2.52 4.37 -44.11 3 4 1 54 342.44 1

Activity (Go SEA)

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