UCSF

ZINC53158228

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 2.93 5.46 -13.53 1 4 0 70 324.764 4
Hi High (pH 8-9.5) 2.93 5.08 -34.64 0 4 -1 72 323.756 4

Activity (Go SEA)

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