UCSF

ZINC17145731

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 28 No

Other Names:

MFCD02168168

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) 7.00 10.76 -8.29 1 4 0 55 412.942 3
Ref Reference (pH 7) 7.00 9.86 -9.11 1 4 0 55 412.942 3
Hi High (pH 8-9.5) 7.00 10.63 -40.47 0 4 -1 57 411.934 3
Mid Mid (pH 6-8) 7.00 11.55 -39.35 0 4 -1 57 411.934 3

Activity (Go SEA)

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