UCSF

ZINC05551551

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 26 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) 7.08 11.41 -7.72 1 3 0 45 399.302 2
Hi High (pH 8-9.5) 7.54 9.68 -42.14 0 3 -1 48 398.294 2

Activity (Go SEA)

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