UCSF

ZINC37268231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) -0.07 0.33 -46.79 6 6 1 103 271.728 5
Hi High (pH 8-9.5) -0.07 -1.88 -16.33 5 6 0 101 270.72 5

Activity (Go SEA)

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