UCSF

ZINC18059567

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 29 No

Popular Name: (4Z,5R)-1-(2-dimethylaminoethyl)-4-[hydroxy-(p-tolyl)methylene]-5-(4-methoxyphenyl)pyrrolidine-2,3-d (4Z,5R)-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) 2.91 9.98 -74.02 1 6 0 74 394.471 7 ↓
Hi High (pH 8-9.5) 2.91 7.45 -58.85 0 6 -1 73 393.463 7 ↓
Mid Mid (pH 6-8) 2.33 10.15 -58.43 1 6 1 68 395.479 7 ↓
Mid Mid (pH 6-8) 2.91 9.48 -47.22 2 6 1 71 395.479 7 ↓

Activity (Go SEA)

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