UCSF

ZINC53345748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 17 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) 2.70 7.75 -116.7 3 3 2 34 238.375 5
Mid Mid (pH 6-8) 2.70 6.43 -39.77 2 3 1 33 237.367 5
Mid Mid (pH 6-8) 2.70 6.38 -34.61 2 3 1 30 237.367 5

Activity (Go SEA)

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

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