UCSF

ZINC42452611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) -0.28 2.57 -38.5 4 4 1 60 232.373 7
Hi High (pH 8-9.5) -0.28 0.45 -11.45 3 4 0 58 231.365 7

Activity (Go SEA)

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