UCSF

ZINC41680202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.10 4.7 -92.06 5 4 2 61 245.411 7
Mid Mid (pH 6-8) 1.10 4.41 -37.67 4 4 1 60 244.403 7

Activity (Go SEA)

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