UCSF

ZINC42450580

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.98 2.9 -40.41 3 3 1 40 229.388 4
Lo Low (pH 4.5-6) 1.98 5.01 -120.39 4 3 2 41 230.396 4

Activity (Go SEA)

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