UCSF

ZINC20469105

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 20 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) 3.16 9.45 -37.13 1 3 1 21 290.818 3
Mid Mid (pH 6-8) 3.16 7.07 -6.93 0 3 0 19 289.81 3
Lo Low (pH 4.5-6) 3.16 9.77 -92.06 2 3 2 22 291.826 3

Activity (Go SEA)

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