UCSF

ZINC62527875

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 20 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) 1.63 5.23 -38.94 2 5 1 55 285.408 7
Mid Mid (pH 6-8) 1.63 7.19 -107.93 3 5 2 57 286.416 7
Mid Mid (pH 6-8) 1.63 4.35 -4.89 1 5 0 51 284.4 7
Lo Low (pH 4.5-6) 1.63 5.66 -45.16 2 5 1 52 285.408 7

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

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