UCSF

ZINC03642807

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 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) 0.60 -3.49 -16.59 2 4 0 83 196.231 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0326170A1; EP0326170B1; US4971620 IBM Patent Data

Activity (Go SEA)

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