UCSF

ZINC18272325

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2008 27 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) 6.92 11.63 -11.87 1 4 0 58 394.883 3
Mid Mid (pH 6-8) 6.43 11.11 -50.5 0 4 -1 57 393.875 4

Activity (Go SEA)

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