UCSF

ZINC22462442

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 14 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) 1.39 3.29 -39.09 3 2 1 29 195.261 1
Mid Mid (pH 6-8) 1.39 3.27 -40.78 3 2 1 29 195.261 1

Activity (Go SEA)

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