UCSF

ZINC42177125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 No

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) 1.46 2.07 -53.08 2 3 1 51 218.342 2
Hi High (pH 8-9.5) 1.46 1.25 -10.75 1 3 0 46 217.334 2

Activity (Go SEA)

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