UCSF

ZINC24800074

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 2009 23 No

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) 4.16 7.56 -46.37 3 5 1 63 361.293 9
Hi High (pH 8-9.5) 4.16 5.55 -14.53 2 5 0 61 360.285 9

Activity (Go SEA)

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