UCSF

ZINC13550337

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 No

Popular Name: (4E,5R)-4-(2,3-dihydro-1,4-benzodioxin-6-yl-hydroxy-methylene)-1-(2-dimethylaminoethyl)-5-(3-nitroph (4E,5R)-4-(2,3-dihydro-1,4-benzo…

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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) 1.85 9.28 -72.42 1 10 0 129 453.451 7 ↓
Hi High (pH 8-9.5) 1.85 6.74 -54.94 0 10 -1 128 452.443 7 ↓
Mid Mid (pH 6-8) 2.30 9.29 -55.72 2 10 1 126 454.459 6 ↓
Mid Mid (pH 6-8) 1.27 10 -58.53 1 10 1 123 454.459 7 ↓

Activity (Go SEA)

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