UCSF

ZINC37181134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) -0.45 1.51 -5.75 1 5 0 72 182.179 2
Mid Mid (pH 6-8) 0.01 -1.15 -35.34 0 5 -1 75 181.171 2

Activity (Go SEA)

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