UCSF

ZINC49237831

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 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) 1.11 8.7 -64.99 2 7 0 89 285.307 5
Mid Mid (pH 6-8) 1.11 8.18 -63.4 1 7 -1 87 284.299 5
Lo Low (pH 4.5-6) 1.11 9.14 -80.03 3 7 1 90 286.315 5

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

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