UCSF

ZINC20193627

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 Yes

Popular Name: 2-chloro-5-[(4-methylpiperazin-1-yl)carbonyl]aniline 2-chloro-5-[(4-methylpiperazin-1…

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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) 0.89 2.33 -7.97 2 4 0 50 253.733 1 ↓
Mid Mid (pH 6-8) 0.89 4.74 -45.89 3 4 1 51 254.741 1 ↓

Activity (Go SEA)

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