UCSF

ZINC49400839

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 33 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) 1.26 10.13 -57.27 3 8 1 98 446.531 6
Hi High (pH 8-9.5) 1.26 7.86 -31.41 2 8 0 96 445.523 6

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

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