UCSF

ZINC41160713

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 1.12 3.19 -33.61 4 4 1 60 244.403 9
Mid Mid (pH 6-8) 1.12 1.54 -40.59 4 4 1 60 244.403 9
Mid Mid (pH 6-8) 1.12 3.6 -114.92 5 4 2 61 245.411 9

Activity (Go SEA)

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