UCSF

ZINC43993423

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 12 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) -0.50 2.82 -34.29 2 4 1 54 171.22 3
Hi High (pH 8-9.5) -0.50 1.37 -8.89 1 4 0 49 170.212 3

Activity (Go SEA)

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