UCSF

ZINC66832902

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2011 17 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) 1.14 7 -41.25 1 4 1 44 235.307 4
Mid Mid (pH 6-8) 1.14 4.78 -6.29 0 4 0 42 234.299 4

Activity (Go SEA)

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