UCSF

ZINC20070977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) -0.05 4.23 -116.86 3 5 2 51 255.362 3
Mid Mid (pH 6-8) -0.05 3.07 -41.44 2 5 1 46 254.354 3

Activity (Go SEA)

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