UCSF

ZINC39343284

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 3.56 6.67 -10.73 1 4 0 55 266.3 2
Hi High (pH 8-9.5) 4.01 4.83 -53.8 0 4 -1 58 265.292 2

Activity (Go SEA)

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