UCSF

ZINC20511850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 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) 0.99 3.86 -50.18 3 4 1 55 252.334 5
Hi High (pH 8-9.5) 0.99 3.45 -6.32 2 4 0 54 251.326 5

Activity (Go SEA)

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