UCSF

ZINC44648439

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) -1.60 -1.45 -55.83 5 7 1 107 226.26 6
Hi High (pH 8-9.5) -1.60 -2.81 -23.26 4 7 0 102 225.252 6

Activity (Go SEA)

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