UCSF

ZINC62454653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2011 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) -0.07 3.87 -51.87 2 6 1 57 313.466 7
Mid Mid (pH 6-8) -0.07 5.93 -118.27 3 6 2 58 314.474 7

Activity (Go SEA)

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