UCSF

ZINC53374978

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 21 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) 3.02 9.36 -113.49 3 3 2 30 292.467 8
Hi High (pH 8-9.5) 3.02 7.12 -36.06 2 3 1 29 291.459 8
Mid Mid (pH 6-8) 3.02 8.15 -35.79 2 3 1 26 291.459 8

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

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