UCSF

ZINC62975875

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 2.44 7.97 -78.32 4 4 2 48 286.423 4
Hi High (pH 8-9.5) 2.44 5.47 -5.38 2 4 0 45 284.407 4
Mid Mid (pH 6-8) 2.44 7.51 -37.02 3 4 1 47 285.415 4

Activity (Go SEA)

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

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