UCSF

ZINC34538488

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 0.39 0 -7.43 4 6 0 102 272.345 5
Mid Mid (pH 6-8) 0.39 1.68 -47.67 5 6 1 103 273.353 5

Activity (Go SEA)

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