UCSF

ZINC11916956

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 32 No

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) 1.56 -0.91 -21.56 2 9 0 123 441.436 9
Mid Mid (pH 6-8) 0.98 -1.07 -28.67 1 9 0 119 441.436 9

Activity (Go SEA)

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