UCSF

ZINC17822678

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2008 24 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) 2.69 5.99 -11.65 2 8 0 120 324.296 3
Ref Reference (pH 7) 2.69 5.84 -18.7 2 8 0 120 324.296 3
Hi High (pH 8-9.5) 3.15 4.22 -42.8 1 8 -1 123 323.288 3
Hi High (pH 8-9.5) 3.15 3.92 -55.43 1 8 -1 123 323.288 3

Activity (Go SEA)

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