UCSF

ZINC37024866

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.07 4.12 -46.27 3 4 1 55 252.334 5
Hi High (pH 8-9.5) 0.07 3.7 -6.55 2 4 0 54 251.326 5

Activity (Go SEA)

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