UCSF

ZINC04189735

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 30 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) 3.58 1.94 -12.17 1 5 0 60 413.399 6
Lo Low (pH 4.5-6) 3.58 2.05 -42.85 2 5 1 61 414.407 6

Activity (Go SEA)

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