UCSF

ZINC52607048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 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) 1.77 8.86 -42.54 1 5 1 52 305.427 5
Hi High (pH 8-9.5) 1.77 6.01 -13.72 0 5 0 51 304.419 5

Activity (Go SEA)

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