UCSF

ZINC42470969

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 No

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) 0.70 2.21 -13.08 3 4 0 62 237.328 2
Lo Low (pH 4.5-6) 0.70 2.55 -45.39 4 4 1 64 238.336 2

Activity (Go SEA)

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