UCSF

ZINC37996780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 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) 1.86 6.78 -35.59 2 4 1 34 265.425 5
Lo Low (pH 4.5-6) 1.86 7.97 -106.07 3 4 2 39 266.433 5
Lo Low (pH 4.5-6) 1.86 5.74 -41.3 2 4 1 38 265.425 5

Activity (Go SEA)

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