UCSF

ZINC21793554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 25 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) 1.67 8.78 -13.6 0 6 0 53 339.443 3
Mid Mid (pH 6-8) 1.67 9.05 -34.67 1 6 1 54 340.451 3

Activity (Go SEA)

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