UCSF

ZINC42452805

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) 0.38 4.04 -44.17 4 4 1 60 244.384 8
Hi High (pH 8-9.5) 0.38 2 -13.22 3 4 0 58 243.376 8

Activity (Go SEA)

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