UCSF

ZINC19905427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 4.44 6.72 -5.94 2 3 0 41 285.387 5
Hi High (pH 8-9.5) 4.44 7.51 -46.05 1 3 -1 44 284.379 5

Activity (Go SEA)

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