UCSF

ZINC54764973

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 15 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) 0.26 5.15 -78.95 4 4 2 46 208.309 3
Hi High (pH 8-9.5) 0.26 2.2 -6.93 2 4 0 44 206.293 3
Mid Mid (pH 6-8) 0.26 4.69 -35.6 3 4 1 45 207.301 3

Activity (Go SEA)

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

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