UCSF

ZINC06728420

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 28 No

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) 4.21 0.45 -10.96 1 5 0 66 399.874 6
Mid Mid (pH 6-8) 3.63 0.3 -16.67 0 5 0 63 399.874 6

Activity (Go SEA)

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