UCSF

ZINC42869660

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.30 2.05 -53.71 3 5 1 66 276.426 4
Mid Mid (pH 6-8) 1.30 0.85 -7.73 2 5 0 61 275.418 4

Activity (Go SEA)

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