UCSF

ZINC42463761

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) -0.08 0.98 -11.43 4 6 0 94 250.302 4
Lo Low (pH 4.5-6) -0.08 1.5 -29.85 5 6 1 96 251.31 4

Activity (Go SEA)

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