UCSF

ZINC37043140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.19 3.05 -45.65 4 5 1 75 265.381 4
Mid Mid (pH 6-8) -0.19 2.71 -12.71 3 5 0 73 264.373 4

Activity (Go SEA)

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