UCSF

ZINC53131878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 Yes

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) 2.61 8.18 -46.32 2 3 1 42 278.379 5
Hi High (pH 8-9.5) 2.61 7.2 -8.35 1 3 0 38 277.371 5

Activity (Go SEA)

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