UCSF

ZINC31095355

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 25 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) 2.77 8.32 -22.54 1 5 0 62 337.423 3
Lo Low (pH 4.5-6) 2.77 8.73 -53.05 2 5 1 64 338.431 3

Activity (Go SEA)

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