UCSF

ZINC06356058

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 24 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) 4.43 8.86 -44.32 3 3 1 46 328.476 9
Hi High (pH 8-9.5) 4.43 7.77 -6.51 2 3 0 41 327.468 9

Activity (Go SEA)

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