UCSF

ZINC49752329

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 21 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) 0.46 5.6 -55.73 2 5 1 69 294.419 5
Mid Mid (pH 6-8) 0.46 3.36 -14.88 1 5 0 68 293.411 5

Activity (Go SEA)

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