UCSF

ZINC19510768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 0.07 0.59 -40.03 5 5 1 88 249.338 4
Lo Low (pH 4.5-6) 0.07 0.93 -100.81 6 5 2 89 250.346 4

Activity (Go SEA)

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