UCSF

ZINC31972341

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 1.41 5.34 -54.7 1 7 -1 99 319.337 6
Lo Low (pH 4.5-6) 1.41 4.22 -17.89 2 7 0 96 320.345 6

Activity (Go SEA)

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