UCSF

ZINC12501270

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 34 Yes

Other Names:

KOS-862

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) 4.50 9.75 -10.75 2 6 0 97 491.694 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.46e-03 g/l DrugBank-experimental

Activity (Go SEA)

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