UCSF

ZINC28396608

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2009 19 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) 2.52 7.69 -45.63 2 4 1 41 280.779 4
Hi High (pH 8-9.5) 2.52 5.16 -11.86 1 4 0 39 279.771 4

Activity (Go SEA)

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