UCSF

ZINC38277810

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 38 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) 4.77 11.69 -60.12 0 8 -1 97 522.618 13
Lo Low (pH 4.5-6) 4.77 10.94 -13.71 1 8 0 95 523.626 13

Activity (Go SEA)

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