UCSF

ZINC05498648

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 18 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) 0.29 2.65 -14.07 3 7 0 99 249.274 6
Lo Low (pH 4.5-6) 0.29 3.07 -38.28 4 7 1 100 250.282 6
Lo Low (pH 4.5-6) 0.29 -1.51 -32.88 4 7 1 100 250.282 6

Activity (Go SEA)

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