UCSF

ZINC00260476

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 16 Yes

CAS Number: 1361143-17-0

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) -0.18 3.97 -55.44 1 5 -1 82 224.236 5

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.20e-01 g/l DrugBank-experimental
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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