UCSF

ZINC33296085

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 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) 6.25 11.37 -8.43 1 3 0 45 344.439 2
Mid Mid (pH 6-8) 5.76 10.85 -43.75 0 3 -1 44 343.431 3

Activity (Go SEA)

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