UCSF

ZINC42450627

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) 1.57 6.21 -9.36 2 4 0 66 240.31 4
Lo Low (pH 4.5-6) 1.57 6.7 -38.08 3 4 1 67 241.318 4

Activity (Go SEA)

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