UCSF

ZINC67967315

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 Yes

Popular Name: 1-(2-hydroxyethyl)-5-[(3S)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]-6,7-dihydro-4H-pyrazolo[ 1-(2-hydroxyethyl)-5-[(3S)-2-met…

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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) 0.31 4.35 -55.21 1 8 -1 102 383.428 4 ↓
Lo Low (pH 4.5-6) 0.31 6.68 -61.12 2 8 0 103 384.436 4 ↓

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

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