UCSF

ZINC05831442

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 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) 4.12 8.95 -38.7 1 2 1 14 248.39 5
Hi High (pH 8-9.5) 4.12 6.35 -3.01 0 2 0 12 247.382 5

Activity (Go SEA)

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