UCSF

ZINC59587839

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 24 Yes

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) 4.83 11.8 -36.42 2 2 1 16 323.504 6
Lo Low (pH 4.5-6) 4.83 10.75 -40.32 2 2 1 20 323.504 6

Activity (Go SEA)

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