UCSF

ZINC48785452

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 1.24 5.07 -54.93 2 5 1 65 263.317 6
Hi High (pH 8-9.5) 1.24 3.72 -9.86 1 5 0 60 262.309 6

Activity (Go SEA)

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