UCSF

ZINC01849937

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 14 No

CAS Number: 2605-79-0

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) 2.26 9.53 -14.7 0 2 0 17 201.354 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.63e-04 g/l DrugBank-experimental

Activity (Go SEA)

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