UCSF

ZINC20898936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) -0.24 1.93 -12.55 4 8 0 108 348.384 2
Mid Mid (pH 6-8) 0.22 0.44 -53.59 3 8 -1 111 347.376 2

Activity (Go SEA)

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