UCSF

ZINC20544953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 34 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) 8.07 14.55 -8.83 0 5 0 53 513.446 7
Lo Low (pH 4.5-6) 3.85 14.84 -31.16 1 5 1 51 514.454 8

Activity (Go SEA)

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