UCSF

ZINC36721460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 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) 2.31 3.01 -9.56 1 6 0 92 343.586 5
Hi High (pH 8-9.5) 2.31 3.14 -31.06 0 6 -1 94 342.578 5

Activity (Go SEA)

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