UCSF

ZINC13096731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2008 34 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) 5.17 11.15 -12.06 1 6 0 70 453.542 4
Mid Mid (pH 6-8) 5.17 11.2 -38.23 2 6 1 71 454.55 4

Activity (Go SEA)

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