UCSF

ZINC37225482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 13 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) -0.67 3.46 -48.81 2 4 1 61 184.263 5
Mid Mid (pH 6-8) -0.67 2.28 -12.38 1 4 0 56 183.255 5

Activity (Go SEA)

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