UCSF

ZINC32955221

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 28 Yes

Popular Name: 1-[(10S)-8,10-bis(2-hydroxyphenyl)-3,7,11-triazaspiro[5.5]undec-7-en-3-yl]ethanone 1-[(10S)-8,10-bis(2-hydroxypheny…

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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) 2.16 4.35 -47.5 4 6 1 90 380.468 2 ↓
Hi High (pH 8-9.5) 2.16 5.14 -59.54 3 6 0 93 379.46 2 ↓
Hi High (pH 8-9.5) 2.16 5.93 -72.52 2 6 -1 95 378.452 2 ↓

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

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