UCSF

ZINC17045749

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 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) 3.93 13.1 -18.21 1 7 0 78 470.451 5
Mid Mid (pH 6-8) 4.11 13.02 -38.62 0 7 -1 80 469.443 5

Activity (Go SEA)

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