UCSF

ZINC40806292

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 3.51 6.02 -54.49 4 3 1 57 263.405 8
Hi High (pH 8-9.5) 3.51 5.61 -7.5 3 3 0 55 262.397 8

Activity (Go SEA)

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