UCSF

ZINC20434210

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 16 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) -1.80 -4.54 -57.62 4 6 1 100 249.312 2
Hi High (pH 8-9.5) -1.80 -5.76 -22.81 3 6 0 95 248.304 2

Activity (Go SEA)

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