UCSF

ZINC55077433

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 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) 1.51 6.57 -95.3 4 4 2 48 292.471 6
Hi High (pH 8-9.5) 1.51 4.04 -2.41 2 4 0 45 290.455 6
Mid Mid (pH 6-8) 1.51 4.37 -39.77 3 4 1 47 291.463 6

Activity (Go SEA)

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

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