UCSF

ZINC05551389

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 27 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) 4.93 9.55 -48.68 0 6 -1 90 392.338 5
Hi High (pH 8-9.5) 5.88 7.15 -47.42 0 6 -1 94 392.338 4

Activity (Go SEA)

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