UCSF

ZINC44930437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 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) -1.24 -2.59 -40.46 1 9 -1 117 256.271 4
Lo Low (pH 4.5-6) -1.24 -2.6 -13.38 2 9 0 118 257.279 4

Activity (Go SEA)

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

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