UCSF

ZINC42825909

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 Yes

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) 0.16 0.42 -52.51 3 5 1 72 251.372 7
Hi High (pH 8-9.5) 0.16 -0.94 -11.81 2 5 0 67 250.364 7

Activity (Go SEA)

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