UCSF

ZINC49629809

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 15 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) -0.34 1.89 -95.71 3 5 2 58 237.369 4
Hi High (pH 8-9.5) -0.34 -0.21 -49.88 2 5 1 57 236.361 4

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

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