UCSF

ZINC52304099

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 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) 2.38 7.69 -53.22 3 3 1 45 258.389 5
Lo Low (pH 4.5-6) 2.38 7.91 -109.55 4 3 2 47 259.397 5

Activity (Go SEA)

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