UCSF

ZINC22066984

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 17 No

Popular Name: SR-41319B SR-41319B

Find On: PubMed — Wikipedia — Google

CAS Numbers: 149845-07-8 , 89987-06-4

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) 0.50 1.8 -233.64 1 6 -3 124 315.587 4 ↓
Hi High (pH 8-9.5) 0.50 3.02 -394.96 0 6 -4 126 314.579 4 ↓
Mid Mid (pH 6-8) 0.50 0.78 -109.5 2 6 -2 121 316.595 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.97e+00 g/l DrugBank-approved

Activity (Go SEA)

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