UCSF

ZINC17861181

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) 1.30 2.61 -49.63 1 7 -1 100 310.289 3
Lo Low (pH 4.5-6) 0.85 4.39 -12.61 2 7 0 97 311.297 3

Activity (Go SEA)

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