UCSF

ZINC53349440

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 24 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) 3.41 9.53 -51.35 2 3 1 34 337.365 7
Hi High (pH 8-9.5) 3.41 7.21 -13.83 1 3 0 32 336.357 7

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

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