UCSF

ZINC49237698

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 17 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) 1.81 4.68 -8.47 2 4 0 62 232.283 4
Hi High (pH 8-9.5) 1.81 5.8 -40.34 2 4 0 66 232.283 4
Mid Mid (pH 6-8) 1.81 5.68 -51.45 1 4 -1 65 231.275 4
Lo Low (pH 4.5-6) 1.81 4.8 -40.32 3 4 1 63 233.291 4

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

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