UCSF

ZINC39886210

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 27 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) 1.92 0.23 -16.53 4 8 0 135 405.457 4
Mid Mid (pH 6-8) 2.38 -1.31 -45.83 3 8 -1 138 404.449 4

Activity (Go SEA)

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