UCSF

ZINC26601783

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 29 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) 3.59 6.97 -22.58 2 7 0 101 432.571 7
Hi High (pH 8-9.5) 3.78 5.96 -49.52 1 7 -1 107 431.563 7

Activity (Go SEA)

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