UCSF

ZINC44649719

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 1.09 2.51 -55.52 4 5 1 75 270.74 5
Hi High (pH 8-9.5) 1.09 1.15 -14.38 3 5 0 70 269.732 5

Activity (Go SEA)

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