UCSF

ZINC48655541

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.23 4.73 -8.39 1 4 0 55 295.335 5
Hi High (pH 8-9.5) 3.23 4.77 -45.38 0 4 -1 57 294.327 5

Activity (Go SEA)

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