UCSF

ZINC38137543

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 21 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) 2.31 4.45 -61.23 2 5 0 89 325.459 3
Hi High (pH 8-9.5) 2.31 3.08 -40.64 1 5 -1 84 324.451 3
Lo Low (pH 4.5-6) 2.31 4.21 -59.76 3 5 1 87 326.467 3

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

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