UCSF

ZINC08582319

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2007 30 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) 4.14 -1.11 -56.81 2 5 -1 85 410.465 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5356896; US6124340 IBM Patent Data

Activity (Go SEA)

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