UCSF

ZINC42807147

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) -0.56 -0.8 -49.38 3 6 1 77 294.441 9
Mid Mid (pH 6-8) -0.56 1.4 -107.11 4 6 2 79 295.449 9

Activity (Go SEA)

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