UCSF

ZINC22633499

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 27 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) 3.54 10.67 -44.28 3 4 1 46 376.505 3
Mid Mid (pH 6-8) 3.54 8.34 -14.63 2 4 0 44 375.497 3

Activity (Go SEA)

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