UCSF

ZINC44232189

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 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) -0.09 1.38 -47.5 4 2 1 48 220.214 4
Mid Mid (pH 6-8) -0.09 1.08 -5.31 3 2 0 46 219.206 4

Activity (Go SEA)

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