UCSF

ZINC25516766

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 23 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) 3.06 5.69 -19.47 2 6 0 80 324.365 3
Hi High (pH 8-9.5) 3.13 4.79 -47.51 1 6 -1 86 323.357 3

Activity (Go SEA)

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