UCSF

ZINC37020792

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 No

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) 1.93 5.81 -42.7 3 3 1 46 330.271 4
Mid Mid (pH 6-8) 1.93 4.44 -6.35 2 3 0 41 329.263 4

Activity (Go SEA)

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