UCSF

ZINC37985554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) -0.05 2.81 -90.59 4 4 2 50 201.314 4
Mid Mid (pH 6-8) 0.14 0.6 -45.9 3 4 1 56 200.306 4

Activity (Go SEA)

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