UCSF

ZINC37414210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 Yes

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) -2.24 -0.83 -54.26 3 8 -1 135 276.228 4
Mid Mid (pH 6-8) -1.78 -2.61 -110.27 2 8 -2 138 275.22 4

Activity (Go SEA)

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