UCSF

ZINC33759730

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 18 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) 1.02 2.47 -62.37 3 5 1 75 266.346 1
Hi High (pH 8-9.5) 1.02 2.06 -57.49 2 5 0 77 265.338 1

Activity (Go SEA)

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