UCSF

ZINC39982825

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 18 Yes

Other Names:

MFCD03426450

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) 2.99 9.08 -116.43 3 2 2 21 246.398 3
Hi High (pH 8-9.5) 2.99 6.94 -41.12 2 2 1 20 245.39 3
Mid Mid (pH 6-8) 2.99 7.81 -33.38 2 2 1 16 245.39 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0330461A2; US5114945 IBM Patent Data

Activity (Go SEA)

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