UCSF

ZINC21787187

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.96 8.2 -34.87 3 3 1 40 291.459 6
Mid Mid (pH 6-8) 1.96 8.54 -122.23 4 3 2 41 292.467 6

Activity (Go SEA)

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