UCSF

ZINC01661392

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -0.01 -0.18 -44.9 4 4 0 88 181.191 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0115345A1; EP0161796A1; EP0174375A1; EP0184550A2; EP0184550B1; EP0214232A1; EP0220923A2; EP0220923B1; EP0236734A2; EP0332225A2; EP0332225B1; EP0460883B1; EP0521827A1; EP0521827B1; EP0552041A3; EP0574028A1; EP0574028B1; EP0594540B1; EP0604368A1; EP060436 IBM Patent Data

Activity (Go SEA)

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