UCSF

ZINC10312609

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2007 17 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) 1.13 3.97 -47.43 1 5 -1 64 249.319 5
Mid Mid (pH 6-8) 0.40 3.85 -12.86 2 5 0 67 250.327 5

Activity (Go SEA)

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