UCSF

ZINC24245232

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 23 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) 0.48 4.48 -11.64 1 8 0 79 317.397 4
Lo Low (pH 4.5-6) 0.48 6.64 -45.92 2 8 1 80 318.405 4

Activity (Go SEA)

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