UCSF

ZINC37712895

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 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) 0.76 4.98 -123.35 5 3 2 47 221.348 5
Mid Mid (pH 6-8) 0.76 3.64 -44.14 4 3 1 43 220.34 5
Mid Mid (pH 6-8) 0.76 4.61 -35.51 4 3 1 46 220.34 5

Activity (Go SEA)

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