UCSF

ZINC04293650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 18 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) 1.79 1.52 -48.97 1 6 -1 86 249.294 1
Mid Mid (pH 6-8) 1.34 3.2 -12.55 2 6 0 83 250.302 1
Mid Mid (pH 6-8) 1.34 2.64 -12.64 2 6 0 83 250.302 1

Activity (Go SEA)

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