UCSF

ZINC32218890

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 9 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) 2.71 4.36 -1.46 0 1 0 9 128.215 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0152856A2; EP0301907A1; EP0301907B1; EP0330059A2; EP0647449A1; EP0655463A1; EP0714909A1; EP0879239A1; EP0915853A1; EP0932082A2; EP0939339A1; EP0939340A1; EP0944623A2; EP1020452A1; US3971825; US4198429; US4249025; US4284581; US4351846; US4367237; US43905 IBM Patent Data

Activity (Go SEA)

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