UCSF

ZINC18084626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2008 16 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) 1.21 3.96 -7.29 0 10 0 129 236.136 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0123346A2; EP0181182A2; EP0294084A2; EP0294893A2; EP0294894A2; EP0548367B1; EP0667883A1; EP0667883B1; EP0755414B1; EP0833605A1; EP1022645A2; US3970002; US4025448; US4049843; US4499140; US4503127; US4537783; US4591531; US4631273; US4631308; US4636437; US IBM Patent Data

Activity (Go SEA)

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

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