UCSF

ZINC33809224

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 7.12 13.67 -11.16 1 7 0 101 515.356 5
Hi High (pH 8-9.5) 7.19 13.07 -38.45 0 7 -1 107 514.348 5

Activity (Go SEA)

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