UCSF

ZINC37793572

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.92 7.99 -54.7 1 5 -1 72 273.312 4
Lo Low (pH 4.5-6) 1.92 6.33 -13.43 2 5 0 70 274.32 4

Activity (Go SEA)

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