UCSF

ZINC31812343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 31 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) 2.45 10.54 -54.29 1 10 -1 128 415.389 3
Hi High (pH 8-9.5) 2.90 8.76 -98.37 0 10 -2 132 414.381 3

Activity (Go SEA)

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