UCSF

ZINC62950645

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 1.33 4.73 -41.92 2 3 1 33 206.313 1
Hi High (pH 8-9.5) 1.33 3.58 -4.51 1 3 0 28 205.305 1
Lo Low (pH 4.5-6) 1.33 5.15 -84.3 3 3 2 34 207.321 1

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

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