UCSF

ZINC35282007

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 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) 3.49 10.39 -63.6 0 4 -1 60 282.404 7
Lo Low (pH 4.5-6) 3.49 8.65 -12.76 1 4 0 58 283.412 7

Activity (Go SEA)

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