UCSF

ZINC19795671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 0.32 4.95 -6.26 2 3 0 46 281.153 2
Lo Low (pH 4.5-6) 0.32 5.25 -45.02 3 3 1 48 282.161 2

Activity (Go SEA)

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