UCSF

ZINC19838002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 4.22 4.94 -12.87 2 3 0 49 241.718 5
Hi High (pH 8-9.5) 4.22 5.97 -49.93 1 3 -1 52 240.71 5

Activity (Go SEA)

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