UCSF

ZINC20217561

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 15 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) -0.39 5.45 -66.51 1 5 0 65 214.265 3
Hi High (pH 8-9.5) -0.39 2.93 -49.6 0 5 -1 64 213.257 3
Lo Low (pH 4.5-6) -0.39 4.33 -43.38 2 5 1 62 215.273 3

Activity (Go SEA)

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