UCSF

ZINC26980938

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 21 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) -5.11 1.67 -49.73 3 9 0 131 320.286 7
Mid Mid (pH 6-8) -5.11 2.28 -107.05 2 9 -1 133 319.278 7

Activity (Go SEA)

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