UCSF

ZINC29861078

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2009 26 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) 3.67 9.79 -56.15 3 5 1 63 374.892 7
Hi High (pH 8-9.5) 3.49 6.93 -46.58 1 5 -1 68 372.876 7
Hi High (pH 8-9.5) 3.49 9.22 -38.6 2 5 0 69 373.884 7

Activity (Go SEA)

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