UCSF

ZINC50064867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.84 5.21 -27.41 1 5 1 57 281.376 6
Mid Mid (pH 6-8) 2.84 7.51 -97.43 2 5 2 58 282.384 6
Mid Mid (pH 6-8) 2.84 4.11 -7.38 0 5 0 56 280.368 6
Lo Low (pH 4.5-6) 2.84 6.31 -32.21 1 5 1 57 281.376 6

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

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