UCSF

ZINC59922915

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 37 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 5.41 7.61 -48.1 2 8 -1 124 555.057 8
Hi High (pH 8-9.5) 5.41 7.66 -95.2 1 8 -2 126 554.049 8
Mid Mid (pH 6-8) 5.41 7.54 -20.75 3 8 0 121 556.065 8

Activity (Go SEA)

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