UCSF

ZINC26439386

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 25 Yes

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) 2.51 8.41 -37.17 2 5 1 61 341.479 4
Mid Mid (pH 6-8) 2.51 8.36 -38.35 2 5 1 61 341.479 4

Activity (Go SEA)

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