UCSF

ZINC26515079

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 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) 2.92 8.25 -109.32 3 2 2 21 226.408 3
Hi High (pH 8-9.5) 2.92 6.95 -34.93 2 2 1 16 225.4 3

Activity (Go SEA)

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