UCSF

ZINC34332800

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 13 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) -1.97 -1.3 -6.24 4 6 0 105 190.199 6
Mid Mid (pH 6-8) -1.97 -0.99 -47.18 5 6 1 106 191.207 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5610141 IBM Patent Data

Activity (Go SEA)

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