UCSF

ZINC49421436

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 29 Yes

Popular Name: 1-[(10R)-10-(5-chloro-2-hydroxy-phenyl)-8-(4-fluorophenyl)-3,7,11-triazaspiro[5.5]undec-7-en-3-yl]et 1-[(10R)-10-(5-chloro-2-hydroxy-…

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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) 3.04 7.28 -53.13 3 5 1 70 416.904 2 ↓
Hi High (pH 8-9.5) 3.04 8.03 -37.98 2 5 0 72 415.896 2 ↓
Mid Mid (pH 6-8) 3.04 6.26 -11.32 2 5 0 65 415.896 2 ↓

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

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