UCSF

ZINC53653816

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 19 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) 0.43 4.23 -39.35 2 5 1 47 267.397 7
Hi High (pH 8-9.5) 0.43 2.52 -6.3 1 5 0 42 266.389 7
Mid Mid (pH 6-8) 0.43 6.17 -114.33 3 5 2 48 268.405 7
Mid Mid (pH 6-8) 0.43 4.78 -33.34 2 5 1 44 267.397 7

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

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