UCSF

ZINC56522652

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2011 23 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) 3.24 10.58 -88.02 2 4 2 27 385.346 5
Hi High (pH 8-9.5) 3.24 8.55 -37.42 1 4 1 26 384.338 5

Activity (Go SEA)

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