UCSF

ZINC41945992

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2010 23 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) 0.56 2 -17.47 3 7 0 91 318.377 8
Hi High (pH 8-9.5) 0.75 -0.66 -50.39 2 7 -1 97 317.369 8
Lo Low (pH 4.5-6) 0.56 2.44 -37.31 4 7 0 92 319.385 8

Activity (Go SEA)

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