UCSF

ZINC07361244

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2006 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.53 -2.49 -10.38 1 5 0 64 335.425 7
Hi High (pH 8-9.5) 3.53 -1.91 -43.97 0 5 -1 66 334.417 7

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.