UCSF

ZINC65166018

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 29 No

Popular Name: (4S)-6-amino-5'-bromo-3-methyl-2'-oxo-spiro[1H-pyrano[2,3-c]pyrazole-4,3'-indoline]-5-carbonitrile (4S)-6-amino-5'-bromo-3-methyl-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) 1.29 0.24 -11.55 4 7 0 117 372.182 0 ↓
Mid Mid (pH 6-8) 3.42 9.45 -15.06 1 5 0 50 410.949 8 ↓
Mid Mid (pH 6-8) 3.42 11.77 -53.59 2 5 1 51 411.957 8 ↓

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

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