UCSF

ZINC61821156

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 17 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) 2.31 10.42 -45.25 2 4 1 38 255.411 3
Hi High (pH 8-9.5) 3.04 10.35 -41.54 1 4 0 35 254.403 3

Activity (Go SEA)

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