UCSF

ZINC61170913

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2011 22 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) 1.40 3.39 -42.7 2 5 1 46 309.43 8
Hi High (pH 8-9.5) 1.40 1.08 -6.31 1 5 0 45 308.422 8
Lo Low (pH 4.5-6) 1.40 5.7 -111.32 3 5 2 48 310.438 8
Lo Low (pH 4.5-6) 1.40 3.4 -40.77 2 5 1 46 309.43 8

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