UCSF

ZINC20521120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 16 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) -1.06 0.36 -38.24 3 6 1 72 230.288 5
Hi High (pH 8-9.5) -1.06 -0.55 -39.46 3 6 1 75 230.288 5
Hi High (pH 8-9.5) -1.06 -1.58 -7.3 2 6 0 71 229.28 5
Lo Low (pH 4.5-6) -1.06 1.75 -111.78 4 6 2 76 231.296 5

Activity (Go SEA)

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