UCSF

ZINC34668031

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.92 4.78 -12.4 2 6 0 69 354.454 6
Mid Mid (pH 6-8) 1.92 7.06 -44.15 3 6 1 70 355.462 6
Mid Mid (pH 6-8) 1.92 5.1 -36.98 3 6 1 70 355.462 6

Activity (Go SEA)

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