UCSF

ZINC34540699

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 5.39 -3.63 0 4 0 25 312.498 10
Mid Mid (pH 6-8) 3.37 7.42 -35.55 1 4 1 26 313.506 10
Mid Mid (pH 6-8) 3.37 7.65 -35.82 1 4 1 26 313.506 10
Mid Mid (pH 6-8) 3.37 9.69 -77.57 2 4 2 27 314.514 10

Activity (Go SEA)

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