UCSF

ZINC20677891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 33 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) 3.38 8.77 -54.96 1 7 1 66 451.543 6
Hi High (pH 8-9.5) 3.38 5.79 -11.34 0 7 0 64 450.535 6
Mid Mid (pH 6-8) 3.38 8.25 -48.51 1 7 1 66 451.543 6
Lo Low (pH 4.5-6) 3.38 11.12 -127.19 2 7 2 67 452.551 6

Activity (Go SEA)

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