UCSF

ZINC20552850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 21 Yes

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) 3.93 5.27 -8.13 2 4 0 51 352.228 6
Hi High (pH 8-9.5) 3.93 6.03 -43.22 1 4 -1 54 351.22 6

Activity (Go SEA)

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