UCSF

ZINC18209171

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 16 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) 1.19 2.33 -13.1 2 4 0 65 236.296 3
Ref Reference (pH 7) 1.32 3.6 -6.68 2 4 0 62 236.296 3
Hi High (pH 8-9.5) 1.19 2.36 -35.32 1 4 -1 62 235.288 3
Lo Low (pH 4.5-6) 1.19 3.42 -37.31 3 4 1 66 237.304 3

Activity (Go SEA)

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