UCSF

ZINC62320968

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 28 Yes

Popular Name: 1-[(11bR)-7,7-dimethyl-3,4,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-yl]-5-(2-thienyl)pentane 1-[(11bR)-7,7-dimethyl-3,4,6,11b…

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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) 4.19 10.5 -18.74 0 4 0 41 396.556 5 ↓
Lo Low (pH 4.5-6) 4.19 12.46 -54.8 1 4 1 42 397.564 5 ↓

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

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