UCSF

ZINC65528129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 18 Yes

Popular Name: 3-[(3aR,4S)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-4-methoxy-phenol 3-[(3aR,4S)-4,5,6,7-tetrahydro-3…

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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) 1.29 2.41 -44.59 4 5 1 75 246.29 2 ↓
Hi High (pH 8-9.5) 1.29 1.07 -9.07 3 5 0 70 245.282 2 ↓
Lo Low (pH 4.5-6) 1.29 2.91 -100.42 5 5 2 76 247.298 2 ↓

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

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