UCSF

ZINC42802100

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 3.63 9.38 -55.03 0 4 -1 62 290.726 6
Lo Low (pH 4.5-6) 3.63 9.84 -69 1 4 0 63 291.734 6

Activity (Go SEA)

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