UCSF

ZINC42461417

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.44 0.47 -45.58 3 3 1 40 215.361 4
Lo Low (pH 4.5-6) 1.44 3.45 -112.29 4 3 2 41 216.369 4

Activity (Go SEA)

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