UCSF

ZINC25515994

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 3.92 5.94 -13.69 3 7 0 104 465.591 7
Mid Mid (pH 6-8) 3.92 6.01 -39.94 2 7 -1 106 464.583 7

Activity (Go SEA)

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