UCSF

ZINC37794856

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.43 6.77 -54.29 1 5 -1 93 243.242 4
Lo Low (pH 4.5-6) 1.43 4.78 -15.43 2 5 0 90 244.25 4

Activity (Go SEA)

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