UCSF

ZINC51067298

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2010 17 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) 0.82 5.29 -32.12 2 5 0 76 236.271 5
Mid Mid (pH 6-8) 0.82 4.86 -53.72 1 5 -1 74 235.263 5

Activity (Go SEA)

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