UCSF

ZINC58586491

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 43 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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
Hi High (pH 8-9.5) 2.09 7.86 -48.12 2 10 -1 121 582.681 4
Mid Mid (pH 6-8) 2.09 7.96 -20 3 10 0 118 583.689 4

Activity (Go SEA)

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