UCSF

ZINC19768054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 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) -1.73 2.46 -67.21 3 7 1 87 320.369 3
Hi High (pH 8-9.5) -1.73 2.15 -15.74 2 7 0 85 319.361 3

Activity (Go SEA)

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