UCSF

ZINC62808099

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2011 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) 3.04 8.67 -11.81 1 4 0 43 280.375 5
Mid Mid (pH 6-8) 3.04 8.95 -31 2 4 1 44 281.383 5
Mid Mid (pH 6-8) 3.04 9.15 -40.07 2 4 1 44 281.383 5
Lo Low (pH 4.5-6) 3.04 9.43 -80.25 3 4 2 45 282.391 5

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

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