UCSF

ZINC53127398

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) -0.55 -2.67 -45.99 6 6 1 106 258.342 5
Mid Mid (pH 6-8) -0.55 -3.08 -8.89 5 6 0 104 257.334 5

Activity (Go SEA)

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