UCSF

ZINC06624275

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 22 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) 2.21 5.06 -10.52 2 6 0 84 297.314 4
Mid Mid (pH 6-8) 2.21 5.54 -35.54 3 6 1 85 298.322 4

Activity (Go SEA)

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