UCSF

ZINC36720044

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 19 No

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) 1.48 3.18 -9.92 1 4 0 42 282.771 5
Mid Mid (pH 6-8) 1.48 5.46 -45.71 2 4 1 43 283.779 5

Activity (Go SEA)

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