UCSF

ZINC05342981

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 19 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) 0.96 0.33 -21.51 3 6 0 95 261.281 4
Hi High (pH 8-9.5) 1.41 -1.58 -61.71 2 6 -1 98 260.273 4

Activity (Go SEA)

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