UCSF

ZINC19899668

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 Yes

Popular Name: (4S)-N-benzylchroman-4-amine (4S)-N-benzylchroman-4-amine

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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) 2.32 8.07 -44.4 2 2 1 26 240.326 3 ↓
Hi High (pH 8-9.5) 2.32 6.98 -4.37 1 2 0 21 239.318 3 ↓

Activity (Go SEA)

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