UCSF

ZINC18173388

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 37 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) 7.67 15.97 -14.12 0 5 0 53 506.627 7
Lo Low (pH 4.5-6) 7.67 16.38 -33.99 1 5 1 54 507.635 7

Activity (Go SEA)

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