UCSF

ZINC36864982

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 Yes

Popular Name: (2S)-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pentan-2-amine (2S)-2-(6,7-dihydro-5H-pyrrolo[2…

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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) 1.23 4.47 -50.25 3 4 1 58 195.29 3 ↓
Hi High (pH 8-9.5) 1.23 4.23 -10.88 2 4 0 57 194.282 3 ↓

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

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