UCSF

ZINC31555500

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 5.11 12.33 -3.62 0 2 0 6 328.459 4
Lo Low (pH 4.5-6) 5.11 13.91 -35.96 1 2 1 8 329.467 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0257616B1 IBM Patent Data
PUBCHEM_PATENT_ID US4766213 IBM Patent Data

Activity (Go SEA)

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