UCSF

ZINC17197157

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 28 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) 4.20 7.38 -42.6 0 6 -1 78 461.723 3
Ref Reference (pH 7) 4.20 7.22 -43.53 0 6 -1 78 461.723 3
Lo Low (pH 4.5-6) 3.74 9.92 -8.51 1 6 0 75 462.731 3

Activity (Go SEA)

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