UCSF

ZINC19889859

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 21 Yes

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) 2.55 9.33 -84.93 2 3 2 12 291.483 3
Hi High (pH 8-9.5) 2.55 6.78 -39.4 1 3 1 11 290.475 3
Lo Low (pH 4.5-6) 2.55 9.07 -108.93 2 3 2 12 291.483 3

Activity (Go SEA)

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