UCSF

ZINC54991797

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) 3.19 9.32 -40.79 1 5 1 35 385.528 8
Lo Low (pH 4.5-6) 3.19 9.34 -40.53 1 5 1 35 385.528 8

Activity (Go SEA)

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