UCSF

ZINC40048057

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 32 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) 2.75 4.03 -58.8 2 8 -1 119 505.341 9
Hi High (pH 8-9.5) 2.75 4.95 -115.89 1 8 -2 122 504.333 9
Lo Low (pH 4.5-6) 2.75 3.28 -16.49 3 8 0 117 506.349 9

Activity (Go SEA)

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