UCSF

ZINC36103451

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 15 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) 2.24 6.06 -32.32 2 2 1 25 226.365 6
Hi High (pH 8-9.5) 2.24 4.22 -3.01 1 2 0 23 225.357 6

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

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