UCSF

ZINC34701555

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 30 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) 4.83 7.75 -8.34 2 5 0 72 415.574 10
Mid Mid (pH 6-8) 4.83 8.65 -46.54 1 5 -1 75 414.566 10

Activity (Go SEA)

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