UCSF

ZINC05774000

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 28 No

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) 6.52 9.74 -9.9 2 4 0 65 386.476 4
Hi High (pH 8-9.5) 6.52 10.5 -44.18 1 4 -1 68 385.468 4
Hi High (pH 8-9.5) 6.03 10.43 -105.04 0 4 -2 67 384.46 5
Hi High (pH 8-9.5) 6.52 10.92 -43.34 1 4 -1 68 385.468 4

Activity (Go SEA)

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