UCSF

ZINC34944682

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) 3.94 13.76 -71.33 1 8 0 111 451.523 9
Lo Low (pH 4.5-6) 3.94 12.84 -54.86 2 8 1 108 452.531 9

Activity (Go SEA)

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