UCSF

ZINC01626987

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 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) 3.67 2.58 -3.68 0 1 0 17 154.253 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0032725A1; EP0036426A1; US4138581; US4275219; US4285947; US4336400; US4338455; USRE30241 IBM Patent Data

Activity (Go SEA)

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