UCSF

ZINC42175487

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 1.78 2.22 -6.4 2 3 0 52 178.235 1
Lo Low (pH 4.5-6) 1.78 2.79 -25.98 3 3 1 53 179.243 1

Activity (Go SEA)

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