UCSF

ZINC08552018

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 30 Yes

CAS Number: 107438-79-9

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) -2.38 -3.51 -22.89 3 10 0 148 424.402 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.96e+00 g/l DrugBank-nutriceuticals

Activity (Go SEA)

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