UCSF

ZINC39121420

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 16 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) 2.15 5.54 -51.78 0 4 -1 62 216.216 3
Lo Low (pH 4.5-6) 2.15 5.97 -54.66 1 4 0 63 217.224 3

Activity (Go SEA)

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