UCSF

ZINC49282627

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 17 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) 0.14 0.71 -45.97 3 6 1 79 259.355 4
Hi High (pH 8-9.5) 0.14 -1.64 -10.75 2 6 0 78 258.347 4
Hi High (pH 8-9.5) 0.14 0.5 -36.94 2 6 0 81 258.347 4

Activity (Go SEA)

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