UCSF

ZINC26513874

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 14 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) 2.87 1.64 -40.62 0 3 -1 39 209.225 1
Lo Low (pH 4.5-6) 2.14 2.44 -12.21 1 3 0 42 210.233 1

Activity (Go SEA)

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