UCSF

ZINC37920458

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 20 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) -1.57 2.98 -15.79 3 8 0 116 274.284 4
Hi High (pH 8-9.5) -1.11 0.56 -56.46 2 8 -1 120 273.276 4

Activity (Go SEA)

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

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