UCSF

ZINC41731506

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 0.93 8.36 -45.09 3 3 1 45 278.379 1
Hi High (pH 8-9.5) 0.93 8.03 -7.3 2 3 0 44 277.371 1

Activity (Go SEA)

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