UCSF

ZINC20309110

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 32 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) 2.33 10.77 -144.68 1 7 -1 101 430.484 7
Mid Mid (pH 6-8) 2.33 9.92 -88.45 2 7 0 98 431.492 7
Lo Low (pH 4.5-6) 2.33 8.33 -48.17 3 7 1 95 432.5 7

Activity (Go SEA)

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