UCSF

ZINC44116636

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 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) 1.83 5.12 -35.9 2 3 1 28 249.378 3
Mid Mid (pH 6-8) 1.83 2.74 -3.51 1 3 0 27 248.37 3
Lo Low (pH 4.5-6) 1.83 4.5 -31.89 2 3 1 28 249.378 3

Activity (Go SEA)

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