UCSF

ZINC16819057

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 28 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) 3.14 11.46 -15.26 0 5 0 55 375.472 3
Lo Low (pH 4.5-6) 3.14 11.67 -52.5 1 5 1 56 376.48 3

Activity (Go SEA)

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