UCSF

ZINC19797020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 30 Yes

Other Names:

MFCD09860704

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) 4.66 10.37 -12.73 0 6 0 56 439.972 6
Mid Mid (pH 6-8) 4.66 12.71 -44.24 1 6 1 57 440.98 6

Activity (Go SEA)

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