UCSF

ZINC22852823

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 0.22 1.14 -42.19 2 6 1 55 315.825 3
Hi High (pH 8-9.5) 0.22 -1.33 -9.13 1 6 0 54 314.817 3

Activity (Go SEA)

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