UCSF

ZINC34830370

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 31 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) 3.83 11.37 -15.73 0 5 0 44 439.625 4
Mid Mid (pH 6-8) 3.83 12.97 -46.06 1 5 1 45 440.633 4

Activity (Go SEA)

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