UCSF

ZINC55060802

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 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) 2.58 7.32 -47.5 4 4 1 65 311.384 6
Hi High (pH 8-9.5) 2.58 6.94 -11.37 3 4 0 64 310.376 6
Lo Low (pH 4.5-6) 2.58 7.87 -100.61 5 4 2 67 312.392 6

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

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