UCSF

ZINC19370003

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 32 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) 4.19 12.46 -47.07 2 5 1 44 429.588 5
Hi High (pH 8-9.5) 4.19 10.19 -16.71 1 5 0 43 428.58 5

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

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