UCSF

ZINC04060718

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.98 1.74 -13.17 0 6 0 74 427.541 8
Mid Mid (pH 6-8) 5.17 0.94 -12.92 0 6 0 74 427.541 8
Mid Mid (pH 6-8) 4.98 1.81 -14.73 0 6 0 74 427.541 8

Activity (Go SEA)

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