UCSF

ZINC22775588

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 No

Popular Name: (3aR,7aR)-2-[[4-(1-naphthylmethyl)piperazin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aR,7aR)-2-[[4-(1-naphthylmethy…

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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) 2.98 8.7 -7.64 0 5 0 44 389.499 4 ↓
Mid Mid (pH 6-8) 2.98 10.8 -39.87 1 5 1 45 390.507 4 ↓
Mid Mid (pH 6-8) 2.98 10.86 -40.38 1 5 1 45 390.507 4 ↓
Mid Mid (pH 6-8) 2.98 10.84 -39.33 1 5 1 45 390.507 4 ↓

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Rings

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

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