UCSF

ZINC42446841

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

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) 1.46 3.23 -37.4 4 4 1 63 200.306 4
Hi High (pH 8-9.5) 1.46 0.99 -5.6 3 4 0 62 199.298 4

Activity (Go SEA)

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