UCSF

ZINC54896370

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 18 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) 1.40 6.58 -44.68 3 3 1 44 266.434 3
Hi High (pH 8-9.5) 1.40 6.25 -5.82 2 3 0 42 265.426 3
Mid Mid (pH 6-8) 1.40 6.98 -93.52 4 3 2 45 267.442 3

Activity (Go SEA)

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

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