UCSF

ZINC43307912

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) 4.96 9.74 -43.4 4 5 1 77 368.586 14
Hi High (pH 8-9.5) 4.96 9.34 -12.06 3 5 0 75 367.578 14

Activity (Go SEA)

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