UCSF

ZINC49420865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 23 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) 3.01 5.94 -36.2 2 4 1 37 319.469 5
Hi High (pH 8-9.5) 3.01 3.73 -4.96 1 4 0 36 318.461 5

Activity (Go SEA)

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