UCSF

ZINC20190079

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 28 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) 3.10 9.27 -67.22 1 6 0 78 402.878 8
Hi High (pH 8-9.5) 3.10 6.98 -55.14 0 6 -1 77 401.87 8
Lo Low (pH 4.5-6) 3.10 8.44 -48.03 2 6 1 75 403.886 8

Activity (Go SEA)

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