UCSF

ZINC64858159

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 27th, 2011 25 Yes

Popular Name: 8-HDoHE 8-HDoHE

Find On: PubMed — Wikipedia — Google

CAS Number: 90780-54-4

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) 4.77 12.96 -47 1 3 -1 60 343.487 14 ↓
Lo Low (pH 4.5-6) 4.77 10.98 -6.99 2 3 0 58 344.495 14 ↓

Activity (Go SEA)

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