UCSF

ZINC63269964

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Substance Information

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

Popular Name: (3S,4S)-3-[3-[(7aR)-4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxo-propyl]-7-methoxy-4-methyl- (3S,4S)-3-[3-[(7aR)-4,6,7,7a-tet…

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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) 1.80 9.52 -47.87 2 7 1 86 370.429 4 ↓
Mid Mid (pH 6-8) 1.80 9.06 -18.33 1 7 0 85 369.421 4 ↓

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

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