UCSF

ZINC39952135

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 27 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) 2.39 8.87 -67.65 3 6 1 83 367.425 5
Hi High (pH 8-9.5) 2.39 8.62 -15.68 2 6 0 82 366.417 5

Activity (Go SEA)

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