UCSF

ZINC49090113

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 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) 2.74 5.79 -37.1 3 5 1 58 320.244 8
Hi High (pH 8-9.5) 2.74 3.78 -8.37 2 5 0 57 319.236 8

Activity (Go SEA)

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