UCSF

ZINC49751575

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 22 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) 3.35 7.41 -17.96 2 4 0 60 293.37 3
Mid Mid (pH 6-8) 3.35 7.9 -28.24 3 4 1 62 294.378 3

Activity (Go SEA)

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