UCSF

ZINC42875723

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 1.28 5.8 -13.26 0 6 0 63 260.249 5
Mid Mid (pH 6-8) 1.28 6.31 -44.61 1 6 1 64 261.257 5

Activity (Go SEA)

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