UCSF

ZINC34336372

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 27 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) -0.38 9.12 -102.85 2 7 0 91 375.4 5
Hi High (pH 8-9.5) -0.38 7.61 -66.3 1 7 -1 87 374.392 5
Mid Mid (pH 6-8) -0.38 7.12 -58.79 3 7 1 88 376.408 5
Lo Low (pH 4.5-6) -3.12 7.13 -83.36 3 7 1 94 376.408 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4889857 IBM Patent Data

Activity (Go SEA)

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