UCSF

ZINC25515450

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 No

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) 4.69 11.72 -56.9 1 6 -1 73 483.462 8
Lo Low (pH 4.5-6) 3.96 11.88 -24.37 2 6 0 76 484.47 8

Activity (Go SEA)

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