UCSF

ZINC15119448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 11 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) 2.27 2.24 -5.06 1 2 0 29 152.193 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4975455 IBM Patent Data

Activity (Go SEA)

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