UCSF

ZINC37322152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 2.94 8.81 -33.38 2 2 1 16 257.401 2
Hi High (pH 8-9.5) 2.94 6.31 -2.17 1 2 0 15 256.393 2
Lo Low (pH 4.5-6) 2.94 7.08 -41.75 2 2 1 20 257.401 2
Lo Low (pH 4.5-6) 2.94 9.57 -112.1 3 2 2 21 258.409 2

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

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