UCSF

ZINC62314590

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Substance Information

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

Popular Name: 3-[(3S,5R)-4-(3-methoxypropyl)-3,5-dimethyl-piperazine-1-carbonyl]-6,8-dimethyl-1H-quinolin-2-one 3-[(3S,5R)-4-(3-methoxypropyl)-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) 1.66 5.97 -16.79 1 6 0 66 385.508 5 ↓
Mid Mid (pH 6-8) 1.66 8.01 -49.43 2 6 1 67 386.516 5 ↓

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

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