UCSF

ZINC42460052

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 2.47 7.5 -24.96 1 3 1 27 243.758 5
Hi High (pH 8-9.5) 2.47 7.05 -5.52 0 3 0 25 242.75 5

Activity (Go SEA)

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