UCSF

ZINC43444192

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) -0.46 0.62 -44.94 3 4 1 63 182.247 5
Hi High (pH 8-9.5) -0.46 -0.74 -8.29 2 4 0 58 181.239 5

Activity (Go SEA)

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