UCSF

ZINC58345326

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 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) 3.85 11.05 -38.73 2 3 1 34 343.878 5
Hi High (pH 8-9.5) 3.85 8.86 -10.44 1 3 0 32 342.87 5

Activity (Go SEA)

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