UCSF

ZINC17197539

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 31 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) 5.55 9.64 -48.97 0 6 -1 88 472.329 4
Ref Reference (pH 7) 5.55 9.52 -48.87 0 6 -1 88 472.329 4
Lo Low (pH 4.5-6) 5.09 12.24 -13.5 1 6 0 85 473.337 4

Activity (Go SEA)

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