UCSF

ZINC36383787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 25 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) 1.97 7.37 -13.46 1 6 0 69 344.459 7
Mid Mid (pH 6-8) 2.42 6.66 -37.23 1 6 0 74 344.459 7

Activity (Go SEA)

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