UCSF

ZINC04657551

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2005 16 Yes

Popular Name: (2-Chloro-benzyl)-(1-methyl-1H-pyrrol-2-ylmethyl)-amine (2-Chloro-benzyl)-(1-methyl-1H-p…

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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) 2.75 8.11 -38.15 2 2 1 22 235.738 4 ↓
Hi High (pH 8-9.5) 2.75 6.72 -4.45 1 2 0 17 234.73 4 ↓

Activity (Go SEA)

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