UCSF

ZINC16904126

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 24 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) 4.07 7.54 -11.54 1 5 0 67 339.42 3
Lo Low (pH 4.5-6) 4.07 7.42 -38.93 2 5 1 69 340.428 3

Activity (Go SEA)

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