UCSF

ZINC05247849

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2006 25 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) 1.52 6.73 -31.13 1 9 0 130 342.311 4
Hi High (pH 8-9.5) 2.04 5.92 -45.01 0 9 -1 136 341.303 4

Activity (Go SEA)

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