UCSF

ZINC44453599

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2010 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) -1.50 -1.26 -23.64 1 8 0 80 309.37 5
Mid Mid (pH 6-8) -1.50 0.94 -63.44 2 8 1 81 310.378 5

Activity (Go SEA)

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