UCSF

ZINC44070146

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 35 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) 6.07 15.5 -199.73 2 9 -3 162 497.653 23
Lo Low (pH 4.5-6) 6.07 13.52 -119.45 3 9 -2 159 498.661 23

Activity (Go SEA)

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