UCSF

ZINC34667575

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 3.37 10.26 -16.23 1 6 0 66 410.493 4
Mid Mid (pH 6-8) 3.37 10.59 -45.82 2 6 1 67 411.501 4

Activity (Go SEA)

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