UCSF

ZINC42472796

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 2.44 6.33 -121.53 4 2 2 32 228.424 5
Mid Mid (pH 6-8) 2.44 4.62 -41.53 3 2 1 31 227.416 5
Mid Mid (pH 6-8) 2.44 5.9 -27.94 3 2 1 30 227.416 5

Activity (Go SEA)

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