UCSF

ZINC34226640

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 20 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) 3.08 9.76 -43.11 2 2 1 20 285.436 2
Mid Mid (pH 6-8) 3.08 7.54 -7.57 1 2 0 19 284.428 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0306191B1; US4798834 IBM Patent Data

Activity (Go SEA)

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