UCSF

ZINC16688762

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 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) 2.62 3.06 -43.03 1 7 -1 104 430.234 4
Lo Low (pH 4.5-6) 2.16 5.73 -10.72 2 7 0 101 431.242 4

Activity (Go SEA)

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