UCSF

ZINC42472746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 12 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) 0.82 2.13 -41.25 3 2 1 31 185.316 5
Lo Low (pH 4.5-6) 0.82 4.3 -110.01 4 2 2 32 186.324 5

Activity (Go SEA)

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