UCSF

ZINC49489169

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 19 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) 1.86 2.2 -15.02 1 4 0 67 297.401 4
Hi High (pH 8-9.5) 1.86 2.96 -49.28 0 4 -1 70 296.393 4

Activity (Go SEA)

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