UCSF

ZINC53148157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 2.86 7.97 -45.24 2 3 1 34 264.78 5
Mid Mid (pH 6-8) 2.86 6.8 -7.17 1 3 0 30 263.772 5

Activity (Go SEA)

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