UCSF

ZINC04819795

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 27 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) 4.37 11.27 -9.66 1 5 0 63 401.919 6
Hi High (pH 8-9.5) 4.90 10.1 -45.1 0 5 -1 65 400.911 7
Lo Low (pH 4.5-6) 4.90 11.36 -33.88 2 5 1 65 402.927 7

Activity (Go SEA)

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