UCSF

ZINC36984853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 14 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) 1.33 5.58 -37.82 2 3 1 40 198.334 8
Mid Mid (pH 6-8) 1.33 6.78 -115.94 3 3 2 45 199.342 8
Mid Mid (pH 6-8) 1.33 4.63 -51.43 2 3 1 44 198.334 8

Activity (Go SEA)

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