UCSF

ZINC20546484

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 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) 2.76 0.79 -16.14 4 5 0 92 306.387 4
Hi High (pH 8-9.5) 2.76 1.57 -51.23 3 5 -1 95 305.379 4

Activity (Go SEA)

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