UCSF

ZINC49509203

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 0.64 3.07 -6.67 1 5 0 50 236.319 4
Mid Mid (pH 6-8) 0.64 3.5 -30.76 2 5 1 52 237.327 4
Mid Mid (pH 6-8) 0.64 5.4 -42.19 2 5 1 51 237.327 4
Lo Low (pH 4.5-6) 0.64 5.83 -88.82 3 5 2 53 238.335 4

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

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