UCSF

ZINC37824804

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.80 2.93 -40.81 2 6 1 62 293.391 7
Hi High (pH 8-9.5) -0.80 1.57 -8.24 1 6 0 58 292.383 7
Lo Low (pH 4.5-6) -0.80 3.41 -80.96 3 6 2 64 294.399 7

Activity (Go SEA)

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

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