UCSF

ZINC42492618

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 1.77 3.62 -45.25 3 3 1 40 257.785 7
Lo Low (pH 4.5-6) 1.77 5.23 -130.21 4 3 2 41 258.793 7

Activity (Go SEA)

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