UCSF

ZINC05649448

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 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) 1.54 0.51 -40.38 1 5 -1 82 245.258 3
Mid Mid (pH 6-8) 0.98 0.52 -40.35 1 5 -1 82 245.258 3
Mid Mid (pH 6-8) 1.36 2.26 -8.5 2 5 0 75 246.266 3

Activity (Go SEA)

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