UCSF

ZINC62984017

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 18 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) 0.42 2.29 -44.49 5 5 1 77 249.338 3
Hi High (pH 8-9.5) 0.42 -0.11 -6.93 4 5 0 76 248.33 3

Activity (Go SEA)

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