UCSF

ZINC42091409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 26 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) 2.70 7.56 -15.89 2 6 0 88 356.47 8
Hi High (pH 8-9.5) 3.16 5.7 -55.68 1 6 -1 91 355.462 8
Lo Low (pH 4.5-6) 2.70 8.02 -51.33 3 6 1 89 357.478 8

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