UCSF

ZINC42773178

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 3.37 7.7 -25.61 1 3 1 22 258.817 4
Mid Mid (pH 6-8) 3.37 7.56 -4.73 0 3 0 21 257.809 4

Activity (Go SEA)

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