UCSF

ZINC37238634

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 30 Yes

Popular Name: (3S,3aR,8aS,9aR)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5,8a-dimethyl-3,3a,7,8,9,9a-hexahydrob (3S,3aR,8aS,9aR)-3-[[4-(3-chloro…

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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) 4.55 14.54 -58.75 1 4 1 34 427.996 3 ↓
Mid Mid (pH 6-8) 4.55 12.66 -9.33 0 4 0 33 426.988 3 ↓

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

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