UCSF

ZINC26961589

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 22 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) -0.02 -3.35 -57.92 6 7 1 116 313.374 9
Hi High (pH 8-9.5) -0.02 -4.84 -20.41 5 7 0 111 312.366 9

Activity (Go SEA)

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