UCSF

ZINC47916101

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 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) 1.13 4.67 -35.04 2 5 1 54 293.387 7
Mid Mid (pH 6-8) 1.13 2.37 -12.57 1 5 0 53 292.379 7
Mid Mid (pH 6-8) 1.13 4.79 -35.37 2 5 1 54 293.387 7

Activity (Go SEA)

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