UCSF

ZINC18286095

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 14 Yes

Popular Name: Peganine Peganine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 6159-55-3 , 6159-56-4 , 7174-27-8 , N/A , [6159-55-3]

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) 1.04 3.34 -26.34 2 3 1 37 189.238 0 ↓
Ref Reference (pH 7) 1.04 3.34 -26.08 2 3 1 37 189.238 0 ↓
Hi High (pH 8-9.5) 1.04 2.91 -8.05 1 3 0 36 188.23 0 ↓

Activity (Go SEA)

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