UCSF

ZINC37596546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 18 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) 1.17 8.01 -55.06 1 5 0 62 273.764 7
Mid Mid (pH 6-8) 1.17 6 -49.92 0 5 -1 61 272.756 7

Activity (Go SEA)

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