UCSF

ZINC05351952

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 32 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) 8.66 12.48 -10.66 1 4 0 51 435.656 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0309402B1; US4785102; US4952620; USRE33489 IBM Patent Data

Activity (Go SEA)

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