UCSF

ZINC34844678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 3.89 11.62 -59.66 1 7 -1 107 493.605 10
Lo Low (pH 4.5-6) 3.89 9.64 -22.71 2 7 0 104 494.613 10

Activity (Go SEA)

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