UCSF

ZINC67726603

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 Yes

Popular Name: 3-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one 3-(5-acetyl-2,4-dimethyl-1H-pyrr…

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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) 0.21 4.95 -48.51 3 7 1 87 361.466 2 ↓
Hi High (pH 8-9.5) 0.21 3.16 -15.71 2 7 0 86 360.458 2 ↓

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

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