UCSF

ZINC08740326

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 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) 2.48 7.29 -11.93 1 2 0 33 233.698 2
Lo Low (pH 4.5-6) 3.78 5.49 -25.15 2 2 1 34 234.706 2

Activity (Go SEA)

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