UCSF

ZINC18193748

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 26 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) 5.71 6.15 -39.64 1 5 -1 74 452.737 5
Mid Mid (pH 6-8) 5.71 6.92 -90.28 0 5 -2 76 451.729 5
Mid Mid (pH 6-8) 6.20 7.54 -33.21 1 5 -1 78 452.737 4
Lo Low (pH 4.5-6) 5.71 6.73 -14.03 2 5 0 71 453.745 5

Activity (Go SEA)

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