UCSF

ZINC42452802

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) -0.12 -1.05 -36.86 5 5 1 83 190.267 7
Hi High (pH 8-9.5) -0.12 -3.12 -7.7 4 5 0 82 189.259 7

Activity (Go SEA)

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