UCSF

ZINC36890659

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 18 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) 3.24 7.73 -52.23 1 3 -1 52 244.245 4
Lo Low (pH 4.5-6) 3.24 5.74 -8.43 2 3 0 49 245.253 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4143151; US4207330 IBM Patent Data

Activity (Go SEA)

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