UCSF

ZINC42680044

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) 0.96 4.55 -82.52 3 3 2 24 227.396 3
Mid Mid (pH 6-8) 0.96 5.42 -97.03 3 3 2 21 227.396 3

Activity (Go SEA)

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