UCSF

ZINC49948359

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 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) 3.79 8.77 -50.78 2 1 1 17 270.78 4
Mid Mid (pH 6-8) 3.79 7.42 -5.74 1 1 0 12 269.772 4

Activity (Go SEA)

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