UCSF

ZINC36112888

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 Yes

Popular Name: 3-[[4-(indoline-1-carbonyl)phenyl]methylamino]-4-(4-methyl-1-piperidyl)cyclobut-3-ene-1,2-dione 3-[[4-(indoline-1-carbonyl)pheny…

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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) 0.46 7.33 -41.16 2 6 1 76 430.528 3 ↓
Mid Mid (pH 6-8) 0.46 8.11 -24.68 1 6 0 79 429.52 3 ↓

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

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