UCSF

ZINC34540702

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 22 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) 3.37 5.4 -3.64 0 4 0 25 312.498 10
Mid Mid (pH 6-8) 3.37 7.42 -35.54 1 4 1 26 313.506 10
Mid Mid (pH 6-8) 3.37 7.66 -35.92 1 4 1 26 313.506 10
Mid Mid (pH 6-8) 3.37 9.68 -77.61 2 4 2 27 314.514 10

Activity (Go SEA)

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