UCSF

ZINC47979390

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 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) 2.85 8.78 -47.94 1 3 1 31 277.171 6
Hi High (pH 8-9.5) 2.85 6.44 -6.09 0 3 0 30 276.163 6

Activity (Go SEA)

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