UCSF

ZINC42606998

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 19 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) 3.55 6.87 -50.11 3 2 1 31 281.851 4
Lo Low (pH 4.5-6) 3.55 8.37 -131.86 4 2 2 32 282.859 4

Activity (Go SEA)

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