UCSF

ZINC42410355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 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) 0.00 4.66 -37.89 2 4 1 54 219.264 3
Hi High (pH 8-9.5) 0.00 3.21 -9.02 1 4 0 49 218.256 3

Activity (Go SEA)

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