UCSF

ZINC33498191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2009 32 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) 2.86 10.33 -71.91 1 8 0 104 440.496 11
Lo Low (pH 4.5-6) 2.86 9.52 -48.09 2 8 1 101 441.504 11

Activity (Go SEA)

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