UCSF

ZINC22065400

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 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) 2.79 8.5 -45.87 2 6 1 57 375.537 8
Hi High (pH 8-9.5) 2.79 8.51 -46.33 2 6 1 57 375.537 8
Hi High (pH 8-9.5) 2.79 6.28 -17.32 1 6 0 56 374.529 8

Activity (Go SEA)

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