UCSF

ZINC03831106

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 13 No

CAS Number: 125-64-4

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) 1.35 -0.42 -7.69 1 3 0 46 183.251 2

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.815 Bitter DB
ALOGPS_SOLUBILITY 1.13e+01 g/l DrugBank-withdrawn

Activity (Go SEA)

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