UCSF

ZINC32162408

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 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) 4.55 7.7 -1.04 0 1 0 9 186.339 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0138404A1; EP0284005A2; EP0284005B1; EP0416861A1; EP0487745A1; EP0655652A1; EP0655652B1; EP0706082A1; EP0707980A1; EP0707980B1; EP0745901A1; EP0745901B1; EP0754565A1; EP0754565B1; EP0844283A1; EP0924102A1; EP1045290A2; EP1058274A1; US3085997; US4024096 IBM Patent Data

Activity (Go SEA)

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