UCSF

ZINC71151039

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 19 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) 0.23 4.87 -41.48 2 5 1 60 260.365 4
Hi High (pH 8-9.5) 0.23 3.51 -7.3 1 5 0 55 259.357 4

Activity (Go SEA)

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