UCSF

ZINC37794852

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.33 8.55 -63.57 1 5 -1 93 287.339 6
Lo Low (pH 4.5-6) 2.33 6.25 -12.49 2 5 0 90 288.347 6

Activity (Go SEA)

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