UCSF

ZINC43460912

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 14 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) -0.04 2.04 -36.3 3 4 0 68 255.119 2
Mid Mid (pH 6-8) -0.04 2.46 -47.62 4 4 1 69 256.127 2

Activity (Go SEA)

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