UCSF

ZINC17971952

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 32 No

Popular Name: (3S,3aR,6aR)-5-(4-chlorophenyl)-3-(4-dimethylaminophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]is (3S,3aR,6aR)-5-(4-chlorophenyl)-…

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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) 4.81 12.56 -11.43 0 6 0 53 447.922 4 ↓
Ref Reference (pH 7) 4.81 12.39 -7.57 0 6 0 53 447.922 4 ↓
Mid Mid (pH 6-8) 4.81 13.14 -24.64 1 6 0 54 448.93 4 ↓
Mid Mid (pH 6-8) 4.81 13.32 -96.52 1 6 0 54 448.93 4 ↓

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

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