UCSF

ZINC49774986

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2010 39 Yes

Popular Name: 3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino] 3-[[(2S)-2-[[(2S)-2-[[(2S)-2-ami…

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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) 1.13 -0.83 -147.46 12 9 2 172 537.705 17 ↓
Hi High (pH 8-9.5) 1.13 -1.85 -67.07 11 9 1 168 536.697 17 ↓
Hi High (pH 8-9.5) 1.13 -0.6 -145.53 12 9 2 172 537.705 17 ↓

Activity (Go SEA)

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