UCSF

ZINC06524831

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 17 Yes

CAS Number: 58-96-8

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) -2.09 -10.62 -13.82 4 8 0 124 244.203 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.35e+02 g/l DrugBank-experimental

Activity (Go SEA)

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