UCSF

ZINC05962605

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 21 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) 6.71 11.32 -1.95 1 1 0 20 298.555 14

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.31e-05 g/l DrugBank-experimental

Activity (Go SEA)

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