UCSF

ZINC58311704

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 27 No

Popular Name: (4aR,8aS)-3-[3-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydro-2H-phthalazine-1,4-d (4aR,8aS)-3-[3-[(3R)-3-methylpip…

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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) 2.06 8.25 -15.89 1 6 0 70 367.449 2 ↓
Mid Mid (pH 6-8) 2.24 6.53 -52.79 0 6 -1 76 366.441 2 ↓

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

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