UCSF

ZINC19370884

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 34 Yes

Other Names:

MFCD00837403

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) 7.32 17.18 -54.2 1 2 1 8 479.66 5
Mid Mid (pH 6-8) 7.32 16.42 -46.92 1 2 1 8 479.66 5
Mid Mid (pH 6-8) 7.32 14.85 -5.55 0 2 0 6 478.652 5

Activity (Go SEA)

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