UCSF

ZINC43061376

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 27 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) 5.02 9.82 -44.63 3 3 1 45 358.461 2
Mid Mid (pH 6-8) 5.02 7.62 -9.76 2 3 0 44 357.453 2

Activity (Go SEA)

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