UCSF

ZINC17778283

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2008 30 No

Popular Name: (4E,5S)-1-(2-dimethylaminoethyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-methoxyphenyl)pyrro (4E,5S)-1-(2-dimethylaminoethyl)…

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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) 3.29 11.13 -74.73 1 6 0 74 408.498 7 ↓
Hi High (pH 8-9.5) 3.29 8.59 -60.33 0 6 -1 73 407.49 7 ↓
Mid Mid (pH 6-8) 2.71 10.84 -47.51 1 6 1 68 409.506 7 ↓
Lo Low (pH 4.5-6) 3.29 10.16 -50.73 2 6 1 71 409.506 7 ↓

Activity (Go SEA)

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