UCSF

ZINC61321730

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.14 1.18 -12.63 1 8 0 94 242.246 3
Lo Low (pH 4.5-6) -0.14 1.65 -52.85 2 8 1 95 243.254 3

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

No pre-computed analogs available. Try a structural similarity search.