UCSF

ZINC37839506

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 No

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) 1.02 6.2 -16.07 0 4 0 41 240.347 5
Mid Mid (pH 6-8) 1.02 8.42 -54.15 1 4 1 42 241.355 5

Activity (Go SEA)

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