UCSF

ZINC33796078

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 27 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) 4.21 8.51 -10.13 0 4 0 33 443.263 5
Mid Mid (pH 6-8) 4.21 10.82 -44.45 1 4 1 34 444.271 5

Activity (Go SEA)

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