UCSF

ZINC06294552

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 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) 2.80 7.53 -45.52 0 7 -1 96 395.416 6
Mid Mid (pH 6-8) 2.79 -0.09 -13.6 1 7 0 92 396.424 6
Mid Mid (pH 6-8) 2.21 -0.22 -20.04 0 7 0 89 396.424 6

Activity (Go SEA)

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