UCSF

ZINC53389600

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 16 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) 2.92 8.08 -113.88 3 2 2 21 226.408 4
Hi High (pH 8-9.5) 2.92 6.93 -31.7 2 2 1 16 225.4 4
Mid Mid (pH 6-8) 2.92 5.64 -36.32 2 2 1 20 225.4 4

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

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