UCSF

ZINC23302387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 27 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) 3.51 10.72 -50.45 1 5 1 41 401.581 6
Hi High (pH 8-9.5) 3.51 8.49 -17.47 0 5 0 40 400.573 6
Mid Mid (pH 6-8) 3.51 10.46 -45.01 1 5 1 41 401.581 6

Activity (Go SEA)

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