UCSF

ZINC25497421

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) 5.04 11.51 -13.42 2 5 0 71 376.847 4
Hi High (pH 8-9.5) 5.50 10.11 -48.74 1 5 -1 74 375.839 4
Mid Mid (pH 6-8) 5.04 11.93 -43.86 3 5 1 72 377.855 4

Activity (Go SEA)

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