UCSF

ZINC44688327

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.88 5.32 -31.49 2 3 1 26 229.388 6
Lo Low (pH 4.5-6) 1.88 6.37 -96.22 3 3 2 30 230.396 6
Lo Low (pH 4.5-6) 1.88 3.96 -32.67 2 3 1 29 229.388 6

Activity (Go SEA)

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