UCSF

ZINC35638987

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 37 Yes

Popular Name: [(3S)-4-(4-fluorobenzoyl)-3-(4-methylpiperazine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(p- [(3S)-4-(4-fluorobenzoyl)-3-(4-m…

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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) 1.63 7.86 -18.09 0 8 0 73 508.594 3 ↓
Mid Mid (pH 6-8) 1.63 10.2 -66.32 1 8 1 75 509.602 3 ↓

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

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