UCSF

ZINC39891629

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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 1.76 -46.73 0 6 -1 77 263.368 4
Lo Low (pH 4.5-6) 1.33 1.78 -10.69 1 6 0 75 264.376 4

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