UCSF

ZINC19313532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 22 No

Other Names:

MFCD00469268

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) 1.54 6.79 -43.86 1 5 1 45 343.234 2
Mid Mid (pH 6-8) 1.54 4.68 -9.88 0 5 0 44 342.226 2
Mid Mid (pH 6-8) 1.54 4.41 -9.43 0 5 0 44 342.226 2

Activity (Go SEA)

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