UCSF

ZINC05138692

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 22 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) 2.33 -4.12 -13.62 2 8 0 121 324.314 5
Hi High (pH 8-9.5) 2.33 -3.55 -33.56 1 8 -1 123 323.306 5
Hi High (pH 8-9.5) 2.33 2.78 -87.84 0 8 -2 126 322.298 5

Activity (Go SEA)

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