UCSF

ZINC20469008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 4.37 10.89 -6.61 0 3 0 21 305.853 7
Lo Low (pH 4.5-6) 4.37 12.03 -31.51 1 3 1 22 306.861 7
Lo Low (pH 4.5-6) 4.37 11 -27.01 1 3 1 22 306.861 7

Activity (Go SEA)

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