UCSF

ZINC43408819

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 0.96 3.09 -18.14 4 5 0 80 278.381 4
Mid Mid (pH 6-8) 0.96 3.41 -44.53 5 5 1 81 279.389 4

Activity (Go SEA)

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