UCSF

ZINC34920714

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) -2.06 -3.77 -147.44 3 11 -2 177 336.193 4
Mid Mid (pH 6-8) -2.06 -4.92 -55.46 4 11 -1 174 337.201 4

Activity (Go SEA)

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