UCSF

ZINC52265901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 18 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) 0.73 2.51 -43.26 2 5 -1 90 261.2 5
Hi High (pH 8-9.5) 0.73 3.09 -124.93 1 5 -2 93 260.192 5

Activity (Go SEA)

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