UCSF

ZINC42943860

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 19 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) 3.72 8.25 -47.74 3 1 1 28 276.4 4
Hi High (pH 8-9.5) 3.72 7.95 -3.87 2 1 0 26 275.392 4

Activity (Go SEA)

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