UCSF

ZINC48908300

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 20 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) 3.26 10.31 -55.1 1 5 1 67 277.344 5
Hi High (pH 8-9.5) 3.26 8.13 -14.12 0 5 0 66 276.336 5

Activity (Go SEA)

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