UCSF

ZINC54743773

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 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) 0.01 8.96 -60.48 2 5 1 64 252.338 6
Hi High (pH 8-9.5) 0.01 6.97 -30.37 1 5 0 62 251.33 6
Hi High (pH 8-9.5) 0.01 6.82 -53.72 0 5 -1 61 250.322 6
Mid Mid (pH 6-8) 0.01 8.58 -36.91 1 5 0 62 251.33 6

Activity (Go SEA)

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

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