UCSF

ZINC05804718

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2006 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.61 11.03 -8.28 1 3 0 45 409.308 2
Ref Reference (pH 7) 6.61 10.61 -8.4 1 3 0 45 409.308 2
Hi High (pH 8-9.5) 7.07 8.6 -49.81 0 3 -1 48 408.3 2
Hi High (pH 8-9.5) 7.07 9.29 -48.88 0 3 -1 48 408.3 2

Activity (Go SEA)

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