UCSF

ZINC34791328

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 34 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) 5.49 11.92 -7.62 1 7 0 72 483.682 8
Mid Mid (pH 6-8) 5.49 12.42 -27.11 2 7 1 74 484.69 8

Activity (Go SEA)

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