UCSF

ZINC48411517

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 20 No

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) -1.84 -1.79 -23.66 3 8 0 108 282.3 3
Hi High (pH 8-9.5) -1.66 -4.44 -54.05 2 8 -1 114 281.292 3

Activity (Go SEA)

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