UCSF

ZINC04529640

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 24 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) 3.25 8.74 -12.56 1 7 0 101 330.34 5
Mid Mid (pH 6-8) 3.39 1.51 -9.88 0 7 0 101 330.34 5

Activity (Go SEA)

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