UCSF

ZINC33809936

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 24 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) 4.68 10.5 -14.36 1 4 0 66 420.719 4
Hi High (pH 8-9.5) 4.75 9.6 -36.07 0 4 -1 72 419.711 4

Activity (Go SEA)

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