UCSF

ZINC59869561

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 16 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) 4.53 6.49 -38.4 2 2 1 26 228.4 6
Hi High (pH 8-9.5) 4.53 5.37 -1.11 1 2 0 21 227.392 6

Activity (Go SEA)

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