UCSF

ZINC33797410

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 20 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) 1.37 9.37 -34.22 1 4 0 54 277.364 5
Hi High (pH 8-9.5) 1.37 7.23 -54.03 0 4 -1 53 276.356 5

Activity (Go SEA)

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