UCSF

ZINC43318448

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 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) 3.31 2.95 -40.73 0 5 -1 70 332.188 4
Lo Low (pH 4.5-6) 3.31 2.87 -9.15 1 5 0 68 333.196 4

Activity (Go SEA)

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