UCSF

ZINC39335942

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 12 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) 3.13 3.73 -4.2 1 2 0 29 207.056 2
Hi High (pH 8-9.5) 3.13 4.65 -38.13 0 2 -1 32 206.048 2

Activity (Go SEA)

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