UCSF

ZINC20128836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.20 4.98 -35.74 3 3 1 37 249.378 6
Hi High (pH 8-9.5) 2.20 4.9 -59.8 2 3 0 43 248.37 6
Mid Mid (pH 6-8) 2.20 4.13 -42.99 3 3 1 40 249.378 6

Activity (Go SEA)

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