UCSF

ZINC13899106

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 28th, 2008 33 No

Popular Name: (4aS,8S,8aS)-6-amino-2-benzyl-2'-oxo-spiro[3,4,4a,8a-tetrahydro-1H-isoquinoline-8,3'-indoline]-5,7,7 (4aS,8S,8aS)-6-amino-2-benzyl-2'…

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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) 2.53 8.33 -50.36 4 7 1 131 435.511 2 ↓
Hi High (pH 8-9.5) 2.53 5.97 -11.94 3 7 0 130 434.503 2 ↓
Mid Mid (pH 6-8) 2.62 7.37 -109.78 4 7 2 131 436.519 2 ↓

Activity (Go SEA)

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