UCSF

ZINC57291642

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 28 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) 2.57 5.05 -55.15 1 8 -1 109 380.38 5
Hi High (pH 8-9.5) 1.86 7.19 -116.57 1 8 -2 110 379.372 4
Mid Mid (pH 6-8) 2.56 7.05 -18.56 2 8 0 106 381.388 5

Activity (Go SEA)

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