UCSF

ZINC20230701

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 8 No

Popular Name: Amyl Nitrite Amyl Nitrite

Find On: PubMed — Wikipedia — Google

CAS Number: 463-04-7

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) 2.04 4.64 -2.6 0 3 0 39 117.148 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 104 TCI
ALOGPS_SOLUBILITY 2.88e+00 g/l DrugBank-approved
ALOGPS_SOLUBILITY 3.97e+00 g/l DrugBank-approved

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

No pre-computed analogs available. Try a structural similarity search.