UCSF

ZINC12502505

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 34 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) -2.95 5.28 -126.52 5 14 -2 226 469.414 9

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.05e-01 g/l DrugBank-experimental

Activity (Go SEA)

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