UCSF

ZINC25502630

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.26 6.57 -48.76 2 7 -1 115 388.4 5
Hi High (pH 8-9.5) 1.71 4.95 -105.32 1 7 -2 118 387.392 5

Activity (Go SEA)

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