UCSF

ZINC45497929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 14 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) 0.76 6.01 -10.12 1 3 0 38 189.214 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.35e+00 g/l DrugBank-experimental

Activity (Go SEA)

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