UCSF

ZINC31976973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 8 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) -2.46 -5.84 -47.82 7 4 1 97 118.16 3
Lo Low (pH 4.5-6) -2.46 -5.55 -118.72 8 4 2 98 119.168 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0929536A1 IBM Patent Data

Activity (Go SEA)

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