UCSF

ZINC34601921

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 18 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) 4.99 10.78 -22.24 1 1 1 4 285.238 1
Hi High (pH 8-9.5) 4.99 9.82 -1.95 0 1 0 3 284.23 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0241292A2; US4716172 IBM Patent Data

Activity (Go SEA)

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