UCSF

ZINC34668081

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 0.71 8.29 -30.86 1 5 0 57 298.77 4
Mid Mid (pH 6-8) 0.71 6.14 -47.24 0 5 -1 56 297.762 4

Activity (Go SEA)

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