UCSF

ZINC44615876

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 25 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) 6.93 11.52 -3.37 0 3 0 28 354.575 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0994149A1; US5448003 IBM Patent Data

Activity (Go SEA)

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