UCSF

ZINC61698460

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 18 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) 1.98 8.12 -50.41 2 4 1 47 310.219 3
Hi High (pH 8-9.5) 1.98 6.95 -9.08 1 4 0 43 309.211 3

Activity (Go SEA)

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

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