UCSF

ZINC04901723

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 21 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) 0.89 -3.92 -13.77 3 6 0 99 285.255 3
Mid Mid (pH 6-8) 0.30 -4.11 -20.1 2 6 0 96 285.255 3

Activity (Go SEA)

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