UCSF

ZINC19966377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 Yes

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) 2.40 3.49 -9.77 2 5 0 60 286.262 2
Ref Reference (pH 7) 2.40 3.49 -9.88 2 5 0 60 286.262 2
Lo Low (pH 4.5-6) 2.40 3.82 -46.43 3 5 1 64 287.27 2
Lo Low (pH 4.5-6) 2.40 3.84 -43.81 3 5 1 64 287.27 2

Activity (Go SEA)

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