UCSF

ZINC22593779

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.87 11.59 -33.03 1 6 1 60 411.522 10
Mid Mid (pH 6-8) 3.87 9.3 -8.77 0 6 0 59 410.514 10

Activity (Go SEA)

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