UCSF

ZINC20310538

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 35 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) 3.55 10.56 -79.8 2 8 0 104 482.577 11
Hi High (pH 8-9.5) 3.55 11.58 -136.21 1 8 -1 106 481.569 11
Hi High (pH 8-9.5) 3.55 8.34 -67.73 1 8 -1 102 481.569 11

Activity (Go SEA)

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