UCSF

ZINC26725657

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 20 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) 2.67 6.24 -42.66 2 4 1 51 276.356 3
Hi High (pH 8-9.5) 2.67 3.89 -6.11 1 4 0 50 275.348 3

Activity (Go SEA)

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