UCSF

ZINC36153442

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 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) -1.57 12.58 -95.44 3 6 2 66 318.421 6
Hi High (pH 8-9.5) -1.57 10.38 -30.46 2 6 1 64 317.413 6

Activity (Go SEA)

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