UCSF

ZINC44133077

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 0.65 1.93 -32.02 2 5 1 46 285.408 2
Hi High (pH 8-9.5) 0.65 2.3 -35.77 2 5 1 46 285.408 2
Lo Low (pH 4.5-6) 0.65 4.53 -96.17 3 5 2 48 286.416 2

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