UCSF

ZINC25463390

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 Yes

Popular Name: diamino-cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]-oxo-BLAHcarbonitrile diamino-cyclopropyl-[4-(4-fluoro…

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Download: MOL2 SDF SMILES Flexibase

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) 2.93 8.57 -15.04 5 9 0 133 458.501 3 ↓
Hi High (pH 8-9.5) 2.93 9.31 -95.61 4 9 0 136 457.493 3 ↓
Mid Mid (pH 6-8) 2.93 9.02 -18.76 6 9 0 135 459.509 3 ↓
Mid Mid (pH 6-8) 2.93 9.75 -53.66 5 9 0 137 458.501 3 ↓

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

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