UCSF

ZINC54742024

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 16 Yes

Popular Name: (10S)-6-chloro-2,3,7,8,9,10-hexahydrobenzo[f][1,4]benzodioxin-10-amine (10S)-6-chloro-2,3,7,8,9,10-hexa…

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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) 0.50 4.29 -42.18 3 3 1 46 240.71 0 ↓
Hi High (pH 8-9.5) 0.50 3.99 -4.6 2 3 0 44 239.702 0 ↓

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

No pre-computed analogs available. Try a structural similarity search.