UCSF

ZINC48941806

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 16 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) -0.14 3.19 -16.3 1 6 0 73 237.288 2
Hi High (pH 8-9.5) -0.07 2.02 -51.61 0 6 -1 79 236.28 2

Activity (Go SEA)

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