UCSF

ZINC42766050

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 1.68 6.42 -35.37 3 2 1 30 255.432 3
Mid Mid (pH 6-8) 1.68 5.42 -8.61 2 2 0 29 254.424 3

Activity (Go SEA)

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