UCSF

ZINC00106628

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 25 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) 3.48 8.95 -20.93 1 4 0 62 338.451 6
Mid Mid (pH 6-8) 3.48 -0.57 -38.33 2 4 1 64 339.459 6

Activity (Go SEA)

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