UCSF

ZINC43478050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.04 3.81 -45.16 2 4 1 38 285.795 6
Mid Mid (pH 6-8) 2.04 6.1 -87.52 3 4 2 40 286.803 6

Activity (Go SEA)

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