UCSF

ZINC38439979

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2010 22 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) 3.15 12.14 -134.95 0 4 -2 80 296.322 7
Lo Low (pH 4.5-6) 3.15 10.35 -56.82 1 4 -1 77 297.33 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000063261A1 IBM Patent Data

Activity (Go SEA)

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