UCSF

ZINC71624344

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 17 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) -1.85 -1.99 -44.43 1 6 -1 115 251.243 1
Hi High (pH 8-9.5) -1.85 -1.46 -107.17 0 6 -2 118 250.235 1

Activity (Go SEA)

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

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