UCSF

ZINC09427236

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2007 35 No

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) 4.78 0.67 -13.28 1 10 0 124 515.979 10
Mid Mid (pH 6-8) 2.47 7.33 -18.16 1 7 0 83 373.405 9

Activity (Go SEA)

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