UCSF

ZINC34590180

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 28 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) 1.26 7.01 -15.55 2 8 0 108 406.46 8
Mid Mid (pH 6-8) 1.26 7.37 -61.26 3 8 1 110 407.468 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3947413; US4051132; US4060687; US4167630; US4258040 IBM Patent Data

Activity (Go SEA)

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