UCSF

ZINC34932680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 3.05 11.47 -81.54 1 9 0 120 453.495 10
Lo Low (pH 4.5-6) 3.05 10.73 -62.8 2 9 1 117 454.503 10

Activity (Go SEA)

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