UCSF

ZINC55566611

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 23 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) 0.65 5.54 -17.47 0 6 0 58 332.429 1
Lo Low (pH 4.5-6) 0.65 8.39 -96.22 2 6 2 60 334.445 1

Activity (Go SEA)

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