UCSF

ZINC42865672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) 0.37 4.05 -42.08 3 3 1 43 230.382 6
Mid Mid (pH 6-8) 0.37 1.71 -12.83 2 3 0 42 229.374 6

Activity (Go SEA)

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