UCSF

ZINC39132370

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 Yes

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) 2.01 4.9 -7.37 1 3 0 42 195.225 1
Lo Low (pH 4.5-6) 2.01 5.36 -38.27 2 3 1 43 196.233 1

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.48e-01 g/l DrugBank-experimental

Activity (Go SEA)

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