UCSF

ZINC13518986

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 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) -2.06 -2.07 -59.92 6 7 0 140 245.279 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0492136A2; EP0492136A3 IBM Patent Data

Activity (Go SEA)

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