UCSF

ZINC29346284

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 26 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) 1.64 9.39 -56.06 2 7 0 103 362.426 9
Mid Mid (pH 6-8) 1.64 8.4 -56.26 1 7 -1 99 361.418 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4575503 IBM Patent Data

Activity (Go SEA)

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