UCSF

ZINC43392629

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.46 4.99 -50.22 3 2 1 41 273.303 2
Mid Mid (pH 6-8) 1.46 4.65 -4.53 2 2 0 39 272.295 2

Activity (Go SEA)

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