UCSF

ZINC13434884

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 30 No

CAS Number: 74299-50-6

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) -3.58 -0.51 -365.36 3 17 -4 270 487.151 8
Mid Mid (pH 6-8) -3.58 -1.67 -227.8 4 17 -3 267 488.159 8

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.83e+00 g/l DrugBank-experimental

Activity (Go SEA)

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