UCSF

ZINC36986739

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) -0.60 0.82 -103.19 6 4 2 75 201.314 4
Hi High (pH 8-9.5) -0.60 0.44 -37.94 5 4 1 74 200.306 4
Mid Mid (pH 6-8) -0.60 -1.14 -44.49 5 4 1 74 200.306 4

Activity (Go SEA)

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