UCSF

ZINC01678880

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 15 No

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) 2.70 1.68 -53.64 0 2 -1 40 197.213 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0124048A2; EP0124048B1; EP0280238A2; EP0304810A1; EP0324480A2; EP0324480B1; EP0324481A2; EP0324481B1; EP0324482A2; EP0324482B1; EP0324493A2; EP0324493B1; EP0353714A2; EP0353714B1; EP0368271A1; EP0368271B1; EP0374875A2; EP0378226A2; EP0378226B1; EP040409 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.