UCSF

ZINC22217700

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 21 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) 0.01 0.45 -44.41 5 7 1 98 293.347 4
Hi High (pH 8-9.5) 0.01 -1.7 -14.39 4 7 0 97 292.339 4

Activity (Go SEA)

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