UCSF

ZINC53375008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.39 11.08 -113.89 3 2 2 21 290.495 7
Hi High (pH 8-9.5) 4.39 9.87 -34.97 2 2 1 16 289.487 7
Mid Mid (pH 6-8) 4.39 8.83 -35.3 2 2 1 20 289.487 7

Activity (Go SEA)

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

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