UCSF

ZINC06757281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.91 9.83 -43.31 1 4 1 44 300.378 1
Hi High (pH 8-9.5) 3.91 6.94 -11.55 0 4 0 43 299.37 1

Activity (Go SEA)

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