UCSF

ZINC21537508

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 2.34 6.44 -19.86 3 11 0 139 475.49 6
Lo Low (pH 4.5-6) 2.79 4.63 -46.48 4 11 1 141 476.498 6
Lo Low (pH 4.5-6) 2.34 7.27 -50.81 4 11 1 141 476.498 6

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

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