UCSF

ZINC37033785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 16 No

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) 1.57 0.31 -49.49 4 5 1 83 278.144 2
Hi High (pH 8-9.5) 1.39 -1.66 -37.56 2 5 -1 87 276.128 2
Hi High (pH 8-9.5) 1.57 -0.09 -9.61 3 5 0 81 277.136 2

Activity (Go SEA)

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