UCSF

ZINC49406940

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 28 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) 2.05 10.97 -39.5 2 6 1 68 379.484 6
Hi High (pH 8-9.5) 2.05 8.32 -11.51 1 6 0 67 378.476 6

Activity (Go SEA)

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