UCSF

ZINC20309394

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 37 No

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) 2.67 5.86 -66.93 1 10 -1 129 509.535 10
Hi High (pH 8-9.5) 2.67 6.88 -133.74 0 10 -2 132 508.527 10
Mid Mid (pH 6-8) 2.67 8.19 -81.08 2 10 0 130 510.543 10

Activity (Go SEA)

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