UCSF

ZINC19802452

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 24 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) 4.59 11.95 -39.59 1 2 1 8 339.528 2
Mid Mid (pH 6-8) 4.59 9.48 -3.92 0 2 0 6 338.52 2
Mid Mid (pH 6-8) 4.59 11.05 -35.46 1 2 1 8 339.528 2

Activity (Go SEA)

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