UCSF

ZINC36358752

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 29 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) 2.61 8.2 -12.75 2 6 0 71 385.423 3
Mid Mid (pH 6-8) 3.27 6.56 -18.56 4 6 0 77 387.439 3
Mid Mid (pH 6-8) 3.27 6.68 -28.67 3 6 1 76 386.431 3

Activity (Go SEA)

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