UCSF

ZINC36387484

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 34 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) 4.75 13.53 -60.05 3 9 1 127 466.514 11
Hi High (pH 8-9.5) 4.75 12.18 -17.41 2 9 0 122 465.506 11

Activity (Go SEA)

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