UCSF

ZINC43913878

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 1.73 3.33 -38.19 2 5 1 48 299.435 3
Lo Low (pH 4.5-6) 1.73 5.36 -109.62 3 5 2 49 300.443 3

Activity (Go SEA)

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