UCSF

ZINC44240073

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 16 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) 0.96 3.77 -48.7 2 5 1 67 226.3 3
Hi High (pH 8-9.5) 0.96 1.37 -10.5 1 5 0 65 225.292 3

Activity (Go SEA)

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