UCSF

ZINC19366922

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 9 Yes

Other Names:

MFCD00025545

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) -0.66 -2.1 -112.33 6 3 2 64 134.223 4
Hi High (pH 8-9.5) -0.66 -3.45 -36.52 5 3 1 60 133.215 4
Mid Mid (pH 6-8) -0.66 -2.35 -36.02 5 3 1 63 133.215 4

Activity (Go SEA)

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