UCSF

ZINC43410903

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 3.16 8.03 -11.2 2 3 0 42 275.421 2
Mid Mid (pH 6-8) 3.16 8.45 -31.8 3 3 1 43 276.429 2

Activity (Go SEA)

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