UCSF

ZINC12428808

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 34 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) 2.93 10.23 -22.69 3 6 0 99 468.41 2
Hi High (pH 8-9.5) 3.12 8.33 -72.06 2 6 -1 106 467.402 2

Activity (Go SEA)

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