UCSF

ZINC22916988

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 31 Yes

Popular Name: (2S)-N-(2,5-dimethylphenyl)-2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]propanamid (2S)-N-(2,5-dimethylphenyl)-2-[4…

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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) 2.94 7.93 -40.58 2 7 1 71 420.537 5 ↓
Hi High (pH 8-9.5) 2.94 8.06 -20.04 1 7 0 70 419.529 5 ↓
Mid Mid (pH 6-8) 2.94 10.39 -47.21 2 7 1 71 420.537 5 ↓
Lo Low (pH 4.5-6) 2.94 10.15 -98.19 3 7 2 72 421.545 5 ↓

Activity (Go SEA)

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