UCSF

ZINC35512629

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 29 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) 3.06 8.87 -16.39 1 8 0 80 399.495 5
Mid Mid (pH 6-8) 3.06 9.25 -44.14 2 8 1 81 400.503 5

Activity (Go SEA)

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