UCSF

ZINC13704064

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 13 Yes

Other Names:

MFCD11520364

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) 1.10 3.25 -38.27 2 3 1 39 179.243 3
Lo Low (pH 4.5-6) 1.10 3.52 -87.83 3 3 2 40 180.251 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0663912A1; US5914328; US5948793; WO1994008992A1; WO1996040682A1; WO1999032480A1 IBM Patent Data

Activity (Go SEA)

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