UCSF

ZINC21029626

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 13 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) 3.49 6.21 -3.19 1 2 0 25 198.697 4
Lo Low (pH 4.5-6) 3.49 6.67 -30.92 2 2 1 26 199.705 4

Activity (Go SEA)

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