UCSF

ZINC19433179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 1.65 2.93 -54.37 1 5 -1 86 250.34 10
Lo Low (pH 4.5-6) 1.65 1.81 -16.69 2 5 0 83 251.348 10

Activity (Go SEA)

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