UCSF

ZINC04386922

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 30 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) 3.79 10.25 -21.74 2 6 0 80 403.482 4
Mid Mid (pH 6-8) 3.91 -1.9 -12.24 1 6 0 80 403.482 4

Activity (Go SEA)

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