UCSF

ZINC43241416

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.01 0.92 -39.62 4 3 1 51 255.407 4
Hi High (pH 8-9.5) 1.01 0.61 -2.91 3 3 0 49 254.399 4
Hi High (pH 8-9.5) 1.01 2.93 -27.24 4 3 1 51 255.407 4
Lo Low (pH 4.5-6) 1.01 3.24 -100.62 5 3 2 52 256.415 4

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