UCSF

ZINC40717869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 15 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) 0.34 6.23 -31.26 3 2 1 30 205.325 3
Lo Low (pH 4.5-6) 0.34 6.63 -125.92 4 2 2 32 206.333 3

Activity (Go SEA)

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