UCSF

ZINC43395894

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.68 5.13 -97.35 4 4 2 54 237.347 6
Mid Mid (pH 6-8) 0.68 4.69 -46.74 3 4 1 53 236.339 6

Activity (Go SEA)

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