UCSF

ZINC21527986

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 26 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) 4.14 5.78 -11.21 1 5 0 68 385.876 3
Lo Low (pH 4.5-6) 4.14 6.17 -36.39 2 5 1 69 386.884 3

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

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