UCSF

ZINC35112678

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 38 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) 6.04 11.36 -12.41 1 6 0 64 537.77 14
Lo Low (pH 4.5-6) 6.04 13.34 -54.35 2 6 1 65 538.778 14

Activity (Go SEA)

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