UCSF

ZINC13511188

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 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) 4.13 7.37 -40.37 3 2 1 37 294.418 2
Hi High (pH 8-9.5) 4.13 6.84 -4.38 2 2 0 32 293.41 2

Activity (Go SEA)

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