UCSF

ZINC36386526

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 31 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) 3.83 11.53 -48.03 1 6 1 68 439.919 4
Hi High (pH 8-9.5) 3.83 9.11 -12.56 0 6 0 67 438.911 4

Activity (Go SEA)

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