UCSF

ZINC26835613

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 24 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) 4.94 11.56 -54.99 0 3 -1 57 327.444 5
Lo Low (pH 4.5-6) 4.94 10.46 -11.97 1 3 0 54 328.452 5

Activity (Go SEA)

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