UCSF

ZINC42317778

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 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) 0.31 3.91 -92.7 4 3 2 35 199.342 4
Hi High (pH 8-9.5) 0.31 1.66 -37.52 3 3 1 34 198.334 4

Activity (Go SEA)

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