UCSF

ZINC59058565

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2011 17 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) 3.42 5.51 -38.78 3 3 1 46 246.415 13
Hi High (pH 8-9.5) 3.42 4.11 -3.8 2 3 0 41 245.407 13

Activity (Go SEA)

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