UCSF

ZINC38214789

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 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) 2.33 8.85 -47.25 2 6 1 66 360.478 10
Hi High (pH 8-9.5) 2.33 7.51 -11.15 1 6 0 62 359.47 10

Activity (Go SEA)

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