UCSF

ZINC25561257

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 24 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) 1.88 4.75 -18.78 2 6 0 88 363.464 6
Hi High (pH 8-9.5) 1.95 3.84 -49.26 1 6 -1 94 362.456 6

Activity (Go SEA)

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