UCSF

ZINC43473981

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 Yes

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) 1.63 2.79 -41.67 2 5 -1 98 290.299 3
Mid Mid (pH 6-8) 1.63 2.72 -10.49 3 5 0 96 291.307 3

Activity (Go SEA)

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