UCSF

ZINC12549935

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 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) 3.55 6.4 -8.96 0 3 0 46 244.681 2
Lo Low (pH 4.5-6) 3.55 7.1 -40.26 1 3 1 47 245.689 2

Activity (Go SEA)

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