UCSF

ZINC19809325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 28 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) 4.37 11.46 -34.88 1 3 1 11 378.584 6
Mid Mid (pH 6-8) 4.37 11.41 -37.73 1 3 1 11 378.584 6
Mid Mid (pH 6-8) 4.37 13.68 -107.52 2 3 2 12 379.592 6

Activity (Go SEA)

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