UCSF

ZINC22145556

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 27 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) 2.18 8.8 -65.49 1 6 0 74 374.481 8
Hi High (pH 8-9.5) 2.18 6.73 -56.88 0 6 -1 73 373.473 8

Activity (Go SEA)

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