UCSF

ZINC42449386

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 2.65 5.52 -44.88 3 3 1 44 253.41 9
Lo Low (pH 4.5-6) 2.65 7.69 -125.17 4 3 2 45 254.418 9

Activity (Go SEA)

Rings

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