UCSF

ZINC43447030

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) 0.70 3.76 -33.21 2 4 1 51 202.274 5
Hi High (pH 8-9.5) 0.70 1.72 -7.98 1 4 0 50 201.266 5

Activity (Go SEA)

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