UCSF

ZINC15580723

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2008 21 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) 1.02 7.62 -54.2 2 4 1 50 282.367 5
Lo Low (pH 4.5-6) 1.02 7.9 -114.44 3 4 2 51 283.375 5

Activity (Go SEA)

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