UCSF

ZINC39080599

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 Yes

Popular Name: 3-Pyrrolidinamine, 1-cyclobutyl-N-methyl- (9CI) 3-Pyrrolidinamine, 1-cyclobutyl-…

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CAS Number: 503067-86-5

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) 0.91 3.7 -29.45 2 2 1 16 155.265 2 ↓
Hi High (pH 8-9.5) 0.91 1.38 -0.91 1 2 0 15 154.257 2 ↓
Lo Low (pH 4.5-6) 0.91 2.65 -36.36 2 2 1 20 155.265 2 ↓
Lo Low (pH 4.5-6) 0.91 4.97 -102.34 3 2 2 21 156.273 2 ↓

Activity (Go SEA)

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