UCSF

ZINC35297829

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 20 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) 4.15 7.78 -9.92 1 3 0 42 297.667 2
Mid Mid (pH 6-8) 4.15 7.35 -36.93 0 3 -1 40 296.659 2

Activity (Go SEA)

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