UCSF

ZINC55054128

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 28 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) 3.15 8.96 -46.68 2 5 1 46 388.576 7
Lo Low (pH 4.5-6) 3.15 8.93 -44.75 2 5 1 46 388.576 7

Activity (Go SEA)

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