UCSF

ZINC22780934

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 29 No

Popular Name: 1-methyl-N-[2-[4-(1-naphthylmethyl)piperazin-1-yl]acetyl]pyrrole-2-carboxamide 1-methyl-N-[2-[4-(1-naphthylmeth…

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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) 2.66 10.46 -54.68 2 6 1 59 391.495 5 ↓
Mid Mid (pH 6-8) 2.66 8.23 -21.53 1 6 0 58 390.487 5 ↓
Mid Mid (pH 6-8) 2.66 10.42 -48.26 2 6 1 59 391.495 5 ↓

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Rings

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