UCSF

ZINC01788059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 21 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) 2.16 0.41 -12.05 0 3 0 34 316.382 2
Lo Low (pH 4.5-6) 2.16 -0.03 -35.57 1 3 1 36 317.39 2

Activity (Go SEA)

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