UCSF

ZINC49312973

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 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) 0.04 2.17 -42.96 3 6 1 76 297.404 4
Hi High (pH 8-9.5) 0.04 -0.01 -13.77 2 6 0 74 296.396 4

Activity (Go SEA)

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