UCSF

ZINC06775505

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 18 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) 2.35 6.99 -13.1 1 6 0 84 247.254 3
Mid Mid (pH 6-8) 2.80 5.02 -7.52 1 6 0 84 247.254 3

Activity (Go SEA)

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