UCSF

ZINC36986779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 14 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) -0.03 -1.37 -38.83 5 4 1 74 200.306 5
Hi High (pH 8-9.5) -0.03 -0.33 -31.57 5 4 1 74 200.306 5
Hi High (pH 8-9.5) -0.28 -1.54 -26.5 4 4 0 77 199.298 5

Activity (Go SEA)

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