UCSF

ZINC37051879

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Popular Name: (2S)-3-ethyl-N2,N2-dimethyl-N1-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]pentane-1,2-diamine (2S)-3-ethyl-N2,N2-dimethyl-N1-[…

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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) 2.12 7.05 -39.04 2 4 1 34 293.479 7 ↓
Mid Mid (pH 6-8) 2.12 6.49 -39.36 2 4 1 38 293.479 7 ↓
Mid Mid (pH 6-8) 2.12 8.46 -121.3 3 4 2 39 294.487 7 ↓

Activity (Go SEA)

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