UCSF

ZINC39113838

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 0.59 2.83 -47.03 2 4 1 46 173.236 3
Mid Mid (pH 6-8) 0.59 1.52 -5.94 1 4 0 42 172.228 3

Activity (Go SEA)

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