UCSF

ZINC34348569

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 29 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) 1.15 11.45 -92.6 2 7 0 95 396.422 3
Hi High (pH 8-9.5) 1.15 10.2 -58.72 1 7 -1 90 395.414 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4970213; US4990515; US5004745 IBM Patent Data

Activity (Go SEA)

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