UCSF

ZINC41204038

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 3.79 8.86 -31.7 2 2 1 16 279.473 4
Lo Low (pH 4.5-6) 3.79 7.62 -35.06 2 2 1 20 279.473 4
Lo Low (pH 4.5-6) 3.79 9.88 -105.33 3 2 2 21 280.481 4

Activity (Go SEA)

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