UCSF

ZINC04580666

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 18 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) 2.15 4.76 -31.82 4 4 1 65 264.374 5
Hi High (pH 8-9.5) 2.28 4.72 -11 3 4 0 61 263.366 6

Activity (Go SEA)

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