UCSF

ZINC37803835

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -0.61 6.65 -12.09 2 5 0 73 308.403 5
Mid Mid (pH 6-8) -0.61 6.97 -48.94 3 5 1 74 309.411 5

Activity (Go SEA)

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