UCSF

ZINC13569195

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 28 No

Popular Name: (4E,5S)-1-(2-dimethylaminoethyl)-4-(2-furyl-hydroxy-methylene)-5-(4-isopropylphenyl)pyrrolidine-2,3- (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) 3.18 10.1 -73.84 1 6 0 78 382.46 7 ↓
Hi High (pH 8-9.5) 3.18 7.57 -59.22 0 6 -1 77 381.452 7 ↓
Mid Mid (pH 6-8) 3.62 9.76 -47.37 2 6 1 75 383.468 6 ↓
Mid Mid (pH 6-8) 2.59 10.89 -45.96 1 6 1 72 383.468 7 ↓

Activity (Go SEA)

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