UCSF

ZINC34588596

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 1.66 5.87 -16.36 1 6 0 78 277.276 4
Mid Mid (pH 6-8) 1.66 6.86 -60.82 0 6 -1 81 276.268 4

Activity (Go SEA)

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