UCSF

ZINC31917120

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) -1.80 2 -84.58 3 7 0 107 294.307 6
Hi High (pH 8-9.5) -1.80 1.57 -54.08 2 7 -1 105 293.299 6

Activity (Go SEA)

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