UCSF

ZINC47613666

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2010 28 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) 3.79 8.1 -33.93 3 6 1 72 388.532 9
Hi High (pH 8-9.5) 3.79 6.52 -18.92 2 6 0 71 387.524 9

Activity (Go SEA)

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