UCSF

ZINC42422389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 20 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) -1.33 4.9 -47.24 3 6 1 71 303.452 9
Hi High (pH 8-9.5) -1.33 2.96 -19.72 2 6 0 70 302.444 9

Activity (Go SEA)

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