UCSF

ZINC03974478

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 26 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) 4.33 -2.01 -10.58 3 5 0 86 354.402 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6136849; WO2000020406A1 IBM Patent Data

Activity (Go SEA)

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