UCSF

ZINC03505516

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 25 No

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) 4.21 7.13 -12 2 6 0 79 404.681 3
Hi High (pH 8-9.5) 4.03 5.46 -42.87 1 6 -1 85 403.673 3

Activity (Go SEA)

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