UCSF

ZINC05498835

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 20 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) 1.35 4.23 -13.13 3 7 0 99 279.344 6
Lo Low (pH 4.5-6) 1.35 4.65 -37.25 4 7 1 100 280.352 6
Lo Low (pH 4.5-6) 1.35 0.07 -31.91 4 7 1 100 280.352 6

Activity (Go SEA)

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