UCSF

ZINC43913816

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.53 3.38 -36.5 2 3 1 29 201.334 4
Lo Low (pH 4.5-6) 1.53 4.85 -110.67 3 3 2 30 202.342 4

Activity (Go SEA)

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