UCSF

ZINC27621394

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 25 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) -0.25 6.85 -109.89 2 6 0 82 345.374 3
Hi High (pH 8-9.5) -0.25 5.43 -68.1 1 6 -1 77 344.366 3
Mid Mid (pH 6-8) -3.00 5.75 -97.75 3 6 1 85 346.382 2

Activity (Go SEA)

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