UCSF

ZINC19885690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 1.45 6.46 -45.17 2 4 1 52 250.318 5
Mid Mid (pH 6-8) 1.45 5.45 -8.05 1 4 0 48 249.31 5

Activity (Go SEA)

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