UCSF

ZINC34337200

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 27 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) 0.74 6.19 -19.54 2 7 0 101 364.357 1
Hi High (pH 8-9.5) 2.04 4.74 -43.97 1 7 -1 104 363.349 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0056692A1; US4399276 IBM Patent Data

Activity (Go SEA)

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