UCSF

ZINC06471432

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 24 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) 2.80 5.26 -15.19 2 5 0 75 348.399 5
Mid Mid (pH 6-8) 2.80 5.33 -38.92 1 5 -1 77 347.391 5

Activity (Go SEA)

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