UCSF

ZINC42965776

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 26 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) 6.75 8.17 -42.58 5 3 1 68 364.594 16
Hi High (pH 8-9.5) 6.75 7.91 -3.95 4 3 0 66 363.586 16

Activity (Go SEA)

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