UCSF

ZINC42824299

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) -0.81 -0.14 -8.77 2 6 0 91 225.248 4
Hi High (pH 8-9.5) -0.62 -1.43 -41.39 1 6 -1 98 224.24 4

Activity (Go SEA)

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