UCSF

ZINC03361253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2005 22 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) -2.46 -1.73 -40.71 1 5 1 41 312.34 5
Mid Mid (pH 6-8) -2.46 1.61 -113.43 2 5 2 42 313.348 5

Activity (Go SEA)

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