UCSF

ZINC19991412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 27 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) 1.48 6.09 -16.14 1 8 0 85 410.569 8
Lo Low (pH 4.5-6) 1.48 8.34 -52.47 2 8 1 86 411.577 8

Activity (Go SEA)

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