UCSF

ZINC20521319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 19 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) -0.13 3.15 -84.57 4 5 2 53 270.421 5
Hi High (pH 8-9.5) -0.13 1.14 -37.97 3 5 1 49 269.413 5
Hi High (pH 8-9.5) -0.13 1.8 -39.32 3 5 1 49 269.413 5
Lo Low (pH 4.5-6) -0.13 4.86 -179.5 5 5 3 55 271.429 5

Activity (Go SEA)

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