UCSF

ZINC05781632

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 28 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) 1.54 6.39 -13.9 1 9 0 117 404.366 10
Mid Mid (pH 6-8) 2.00 4.63 -60.45 0 9 -1 120 403.358 10

Activity (Go SEA)

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