UCSF

ZINC39229355

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 2.73 11.68 -50.78 2 5 1 53 399.518 3
Mid Mid (pH 6-8) 2.73 10.4 -9.61 1 5 0 48 398.51 3

Activity (Go SEA)

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