UCSF

ZINC28348619

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 23 No

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) -0.66 -2.02 -18.48 4 10 0 135 325.325 5
Lo Low (pH 4.5-6) -0.66 -1.55 -34.51 5 10 1 136 326.333 5

Activity (Go SEA)

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