UCSF

ZINC01710266

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 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) 1.48 2.53 -46.52 1 4 -1 73 188.162 1
Hi High (pH 8-9.5) 1.48 3.3 -102.43 0 4 -2 76 187.154 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3956420; WO2000001692A1 IBM Patent Data

Activity (Go SEA)

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