UCSF

ZINC04259447

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 32 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) 4.08 6.37 -16.93 4 8 0 120 450.882 6
Mid Mid (pH 6-8) 4.08 7.14 -63.04 3 8 -1 123 449.874 6

Activity (Go SEA)

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