UCSF

ZINC39949199

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 24 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) -3.09 1.21 -70.71 5 9 0 146 342.396 7
Hi High (pH 8-9.5) -3.09 0.92 -49.7 4 9 -1 145 341.388 7

Activity (Go SEA)

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