UCSF

ZINC42449388

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 2.15 4.98 -37.78 3 3 1 44 239.383 8
Lo Low (pH 4.5-6) 2.15 6.61 -124.28 4 3 2 45 240.391 8

Activity (Go SEA)

Rings

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