UCSF

ZINC33045194

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 34 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) 3.63 8.54 -58.87 2 7 1 66 483.637 7
Mid Mid (pH 6-8) 3.63 6.16 -16.06 1 7 0 65 482.629 7

Activity (Go SEA)

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