UCSF

ZINC43053803

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 24 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) 2.61 10.25 -19.62 0 5 0 61 337.404 4
Lo Low (pH 4.5-6) 2.61 10.71 -42.78 1 5 1 62 338.412 4

Activity (Go SEA)

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