UCSF

ZINC37839946

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) -0.17 -0.42 -11.73 1 7 0 79 300.384 4
Mid Mid (pH 6-8) -0.17 1.82 -44.7 2 7 1 80 301.392 4

Activity (Go SEA)

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