UCSF

ZINC03818243

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 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) 3.78 8.58 -14.47 1 5 0 64 330.391 5
Mid Mid (pH 6-8) 3.78 -1.31 -41.1 2 5 1 64 331.399 5

Activity (Go SEA)

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