UCSF

ZINC43273723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 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) 2.45 8.46 -14.71 2 4 0 62 318.392 8
Hi High (pH 8-9.5) 3.75 8.3 -49.73 1 4 -1 65 317.384 8

Activity (Go SEA)

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