UCSF

ZINC53125878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 2.38 3.03 -34.22 4 3 1 57 282.379 5
Hi High (pH 8-9.5) 2.38 1.83 -6.81 3 3 0 52 281.371 5

Activity (Go SEA)

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