UCSF

ZINC48907812

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 3.86 -43.13 2 4 1 51 293.771 3
Hi High (pH 8-9.5) 1.93 3.66 -35.83 1 4 0 53 292.763 3
Hi High (pH 8-9.5) 1.93 1.17 -7.22 1 4 0 49 292.763 3

Activity (Go SEA)

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