UCSF

ZINC02790201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 29 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) 4.07 8.27 -56.49 1 7 -1 92 426.861 5
Mid Mid (pH 6-8) 3.61 9.62 -22.43 2 7 0 89 427.869 5

Activity (Go SEA)

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