UCSF

ZINC16641361

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 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) 1.91 4.12 -16.84 2 6 0 80 291.332 5
Hi High (pH 8-9.5) 1.73 2.98 -47.73 1 6 -1 87 290.324 5

Activity (Go SEA)

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