UCSF

ZINC31897685

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 29 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) 5.37 14.83 -50.73 1 4 1 39 412.623 7
Mid Mid (pH 6-8) 5.37 12.79 -11.29 0 4 0 38 411.615 7

Activity (Go SEA)

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