UCSF

ZINC38549572

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.51 -6.53 -47.06 4 11 -1 155 379.397 3
Lo Low (pH 4.5-6) -0.51 -6.54 -17.3 5 11 0 158 380.405 3

Activity (Go SEA)

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