UCSF

ZINC43475184

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 1.59 2.46 -46.06 4 3 1 57 250.343 5
Hi High (pH 8-9.5) 1.59 2.15 -8.26 3 3 0 55 249.335 5

Activity (Go SEA)

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