UCSF

ZINC44929362

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 18 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) 2.64 5.61 -6.66 1 3 0 36 246.285 4
Mid Mid (pH 6-8) 2.64 6.07 -32.36 2 3 1 38 247.293 4

Activity (Go SEA)

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