UCSF

ZINC06524892

Substance Information

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

CAS Numbers: 65-46-3 , 69-74-9

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) -1.93 -12.59 -21.07 5 8 0 130 243.219 2

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.38e+01 g/l DrugBank-experimental
Purity 99% APIChem

Activity (Go SEA)

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