UCSF

ZINC35023135

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 36 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) 2.27 9.3 -84.49 3 9 0 126 493.56 12
Lo Low (pH 4.5-6) 2.27 8.39 -60.93 4 9 1 124 494.568 12

Activity (Go SEA)

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