UCSF

ZINC22167240

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 17 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) 2.17 4.49 -42.3 4 4 1 60 277.175 3
Hi High (pH 8-9.5) 2.17 2.12 -12.37 3 4 0 58 276.167 3

Activity (Go SEA)

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