UCSF

ZINC42775967

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.94 4.63 -10.5 1 3 0 36 246.232 6
Mid Mid (pH 6-8) 1.94 6.61 -41.08 2 3 1 37 247.24 6

Activity (Go SEA)

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