UCSF

ZINC43460985

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 3.75 7.39 -36.72 0 3 -1 40 321.585 2
Mid Mid (pH 6-8) 3.75 7.96 -5.68 1 3 0 42 322.593 2

Activity (Go SEA)

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