UCSF

ZINC43307786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 35 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) 6.38 13.16 -105.56 7 6 2 105 496.825 22
Hi High (pH 8-9.5) 6.38 12.86 -50.27 6 6 1 103 495.817 22

Activity (Go SEA)

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