UCSF

ZINC15770365

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 26 Yes

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) 2.63 7.16 -44.75 2 6 1 63 376.55 8
Lo Low (pH 4.5-6) 2.63 7.44 -85.63 3 6 2 64 377.558 8

Activity (Go SEA)

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