UCSF

ZINC43446266

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 0.60 3.91 -42.49 2 4 1 52 190.263 8
Mid Mid (pH 6-8) 0.60 2.58 -6.67 1 4 0 48 189.255 8

Activity (Go SEA)

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