UCSF

ZINC19842252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 3.69 8.47 -40.83 1 4 1 26 333.496 5
Hi High (pH 8-9.5) 3.69 6.17 -5.52 0 4 0 25 332.488 5

Activity (Go SEA)

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