UCSF

ZINC18286566

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 26 No

Other Names:

MFCD00843339

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) 2.38 8.58 -11.7 0 5 0 44 349.434 3
Ref Reference (pH 7) 2.38 8.59 -11.65 0 5 0 44 349.434 3
Mid Mid (pH 6-8) 2.38 10.73 -52.38 1 5 1 45 350.442 3

Activity (Go SEA)

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