UCSF

ZINC67980631

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 Yes

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) 2.93 11.49 -44.9 1 4 1 28 358.893 4
Hi High (pH 8-9.5) 2.93 9.01 -7.69 0 4 0 27 357.885 4

Activity (Go SEA)

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