UCSF

ZINC41057869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.46 7.88 -11.25 1 3 0 42 262.312 2
Lo Low (pH 4.5-6) 3.46 8.24 -30.5 2 3 1 43 263.32 2
Lo Low (pH 4.5-6) 3.64 8.24 -28.61 2 3 1 47 263.32 1

Activity (Go SEA)

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