UCSF

ZINC49282651

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 18 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) 0.21 2.04 -44.13 2 6 1 68 273.382 4
Hi High (pH 8-9.5) 0.21 -0.32 -10.82 1 6 0 67 272.374 4
Hi High (pH 8-9.5) 0.21 1.82 -37.89 1 6 0 71 272.374 4

Activity (Go SEA)

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