UCSF

ZINC16667494

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 23 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) 3.84 9.16 -8.63 1 4 0 54 298.349 2
Lo Low (pH 4.5-6) 3.84 10.24 -87.3 3 4 2 57 300.365 2

Activity (Go SEA)

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