UCSF

ZINC69909021

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 16 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) 1.60 5.14 -31.5 2 3 1 38 239.364 2
Mid Mid (pH 6-8) 1.60 4.82 -6.97 1 3 0 36 238.356 2

Activity (Go SEA)

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