UCSF

ZINC55065271

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 2.79 7.55 -93.72 3 3 2 24 289.467 4
Hi High (pH 8-9.5) 2.79 4.53 -2.69 1 3 0 19 287.451 4
Mid Mid (pH 6-8) 2.79 6.35 -33.92 2 3 1 20 288.459 4

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

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