UCSF

ZINC22152734

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 5.42 8.37 -2.89 1 1 0 12 365.123 5
Lo Low (pH 4.5-6) 5.42 9.78 -49.58 2 1 1 17 366.131 5

Activity (Go SEA)

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