UCSF

ZINC20056610

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 13 Yes

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) -0.18 2.24 -42.87 2 4 1 46 187.263 4
Mid Mid (pH 6-8) -0.18 0.85 -7.82 1 4 0 42 186.255 4

Activity (Go SEA)

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