UCSF

ZINC43437679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 0.09 6.99 -111.82 2 7 -2 121 300.355 8
Lo Low (pH 4.5-6) 0.09 5.01 -56.34 3 7 -1 119 301.363 8

Activity (Go SEA)

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