UCSF

ZINC15082049

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 21 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) 1.88 4.97 -13.79 3 6 0 94 303.343 3
Lo Low (pH 4.5-6) 1.88 5.22 -43.82 4 6 1 96 304.351 3

Activity (Go SEA)

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