UCSF

ZINC49746439

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 46 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) 3.40 13.41 -89.14 3 12 0 152 636.794 15
Mid Mid (pH 6-8) 3.40 13.77 -102.22 4 12 1 153 637.802 15

Activity (Go SEA)

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