UCSF

ZINC19537040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 2.44 6.35 -35.19 1 3 1 17 249.378 4
Mid Mid (pH 6-8) 2.44 6.36 -37.22 1 3 1 17 249.378 4
Mid Mid (pH 6-8) 2.44 3.97 -3.46 0 3 0 16 248.37 4

Activity (Go SEA)

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