UCSF

ZINC12405446

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 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) -0.64 2.01 -11.4 2 6 0 84 180.167 1
Mid Mid (pH 6-8) -0.64 2.5 -50.41 3 6 1 85 181.175 1

Activity (Go SEA)

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