UCSF

ZINC34676935

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 32 Yes

Popular Name: (2,4-difluorophenyl)-[4-(4-methylpiperazin-1-yl)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrim (2,4-difluorophenyl)-[4-(4-methy…

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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) 2.54 13.8 -56.71 1 7 1 57 443.522 3 ↓
Mid Mid (pH 6-8) 2.54 14.15 -96.77 2 7 2 58 444.53 3 ↓
Mid Mid (pH 6-8) 2.54 11.42 -13.91 0 7 0 56 442.514 3 ↓

Activity (Go SEA)

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