UCSF

ZINC05833714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 6 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) 1.08 3.43 -30.68 1 1 1 7 86.158 2
Hi High (pH 8-9.5) 1.08 -0.01 -1.78 0 1 0 3 85.15 2

Activity (Go SEA)

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