UCSF

ZINC41042658

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 14 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) 2.16 5.32 -106.98 4 2 2 32 200.37 4
Hi High (pH 8-9.5) 2.16 4.97 -30.89 3 2 1 30 199.362 4
Hi High (pH 8-9.5) 2.16 3.45 -40.47 3 2 1 31 199.362 4

Activity (Go SEA)

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