UCSF

ZINC42467105

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.74 5.8 -48.92 2 5 -1 79 249.29 4
Lo Low (pH 4.5-6) 1.74 5.35 -63.53 3 5 0 80 250.298 4

Activity (Go SEA)

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