UCSF

ZINC32134623

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 13 Yes

Popular Name: (1R)-1-(2-pyridyl)hex-5-en-1-ol (1R)-1-(2-pyridyl)hex-5-en-1-ol

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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) 1.88 3.72 -4.03 1 2 0 33 177.247 5 ↓
Lo Low (pH 4.5-6) 1.88 4.29 -32.12 2 2 1 34 178.255 5 ↓

Activity (Go SEA)

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