UCSF

ZINC42188548

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 21 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) 3.71 7.9 -44.47 3 3 1 45 298.797 3
Hi High (pH 8-9.5) 3.71 7.71 -6.48 2 3 0 44 297.789 3

Activity (Go SEA)

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