UCSF

ZINC44907447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.24 1.94 -33.26 3 6 1 68 288.375 5
Hi High (pH 8-9.5) 0.24 1.49 -16.01 2 6 0 67 287.367 5
Mid Mid (pH 6-8) 0.24 3.75 -47.26 3 6 1 68 288.375 5
Mid Mid (pH 6-8) 0.24 4.2 -86.72 4 6 2 69 289.383 5
Mid Mid (pH 6-8) 0.24 4.19 -104.13 4 6 2 69 289.383 5
Lo Low (pH 4.5-6) 0.24 3.75 -43.39 3 6 1 68 288.375 5

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