UCSF

ZINC26466964

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 2.52 6.65 -56.71 3 3 1 45 256.304 3
Hi High (pH 8-9.5) 2.52 6.27 -9.76 2 3 0 44 255.296 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0190817A1; US4728741; US4857540 IBM Patent Data

Activity (Go SEA)

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