UCSF

ZINC04157999

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 25 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) 5.88 2.97 -10.76 1 3 0 29 339.458 5
Mid Mid (pH 6-8) 5.88 3.14 -27.05 2 3 1 30 340.466 5

Activity (Go SEA)

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