UCSF

ZINC24694632

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 8 No

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 -3.41 -56.1 4 4 1 74 115.112 0
Hi High (pH 8-9.5) -2.08 -5.56 -39.17 2 4 -1 79 113.096 0

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.40e+02 g/l DrugBank-experimental

Activity (Go SEA)

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