UCSF

ZINC24378636

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2009 24 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) 2.53 7.1 -6.27 1 4 0 42 324.424 5
Lo Low (pH 4.5-6) 2.53 9.53 -36.82 2 4 1 43 325.432 5

Activity (Go SEA)

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