UCSF

ZINC43307929

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 26 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) 8.19 12.06 -11.19 1 4 0 56 364.526 16
Hi High (pH 8-9.5) 8.19 12.83 -49.67 0 4 -1 59 363.518 16

Activity (Go SEA)

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