UCSF

ZINC65535302

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 Yes

Popular Name: 1-(2-chlorophenyl)-5-(4-nitrophenyl)-3a,6a-dihydrosprio[1H-furo[3,4-c]pyrrole-3,2'-(1'H)-indene]-1',3',4,6(2'H,3H,5H)-tetrone 1-(2-chlorophenyl)-5-(4-nitrophe…

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Other Names:

MFCD01051630

Download: MOL2 SDF SMILES Flexibase

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) 1.18 5.67 -39.97 2 5 1 40 315.441 4 ↓
Mid Mid (pH 6-8) 1.18 3.26 -8.44 1 5 0 39 314.433 4 ↓
Mid Mid (pH 6-8) 1.18 5.48 -41.92 2 5 1 40 315.441 4 ↓

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

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