UCSF

ZINC22010379

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 14 Yes

CAS Number: 38323-36-3

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) 2.10 3.96 -2.86 0 2 0 12 191.274 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.43e+00 g/l DrugBank-approved

Activity (Go SEA)

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