UCSF

ZINC37229361

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 25 No

Popular Name: (3R,3aS,5aR,9bS)-5a,9-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]be (3R,3aS,5aR,9bS)-5a,9-dimethyl-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) 0.86 8.69 -53.05 1 5 1 51 345.463 2 ↓
Hi High (pH 8-9.5) 0.86 6.31 -12.22 0 5 0 50 344.455 2 ↓
Mid Mid (pH 6-8) 0.86 8.44 -56.2 1 5 1 51 345.463 2 ↓

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

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