UCSF

ZINC19634338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 16 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) 2.29 6.5 -37.89 1 2 1 8 225.331 6
Mid Mid (pH 6-8) 2.29 6.72 -37.97 1 2 1 8 225.331 6

Activity (Go SEA)

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