UCSF

ZINC51097381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2010 24 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) 2.13 8.82 -42.71 2 5 1 70 324.404 4
Hi High (pH 8-9.5) 2.13 6.71 -11.88 1 5 0 69 323.396 4

Activity (Go SEA)

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