UCSF

ZINC53655006

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 3.46 7.29 -40.6 2 2 1 20 332.331 6
Lo Low (pH 4.5-6) 3.46 9.51 -105.82 3 2 2 21 333.339 6

Activity (Go SEA)

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