UCSF

ZINC48907815

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 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) 1.93 3.82 -43.39 2 4 1 51 293.771 3
Hi High (pH 8-9.5) 1.93 3.59 -36.47 1 4 0 53 292.763 3
Hi High (pH 8-9.5) 1.93 1.33 -7.09 1 4 0 49 292.763 3

Activity (Go SEA)

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