UCSF

ZINC01720747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 10 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) 1.92 1.53 -4.99 0 1 0 17 138.21 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0824962A1; EP0858835A1; US5958821; US5981420; WO2000035279A1; WO2000035280A1 IBM Patent Data

Activity (Go SEA)

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