UCSF

ZINC05550915

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 25 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) 7.14 11.17 -7.07 1 3 0 45 370.905 5
Mid Mid (pH 6-8) 6.65 11.13 -43.03 0 3 -1 44 369.897 6

Activity (Go SEA)

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