UCSF

ZINC42778209

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 No

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) 3.32 8.49 -38.89 1 3 1 21 332.965 11
Mid Mid (pH 6-8) 3.32 9.27 -37.28 1 3 1 21 332.965 11
Mid Mid (pH 6-8) 3.32 11.2 -113.57 2 3 2 22 333.973 11

Activity (Go SEA)

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