UCSF

ZINC49552096

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 33 Yes

Popular Name: N-[3-[(4aR,7aS)-1-(2-dimethylaminoethyl)-4-hydroxy-2-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridi N-[3-[(4aR,7aS)-1-(2-dimethylami…

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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) 0.65 2.53 -119.79 2 11 -1 155 496.591 6 ↓
Hi High (pH 8-9.5) 0.65 0.04 -108.65 1 11 -2 153 495.583 6 ↓

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Rings

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

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