UCSF

ZINC33731350

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 4.60 11.15 -19.61 2 7 0 87 489.576 8
Hi High (pH 8-9.5) 4.79 10.1 -46.93 1 7 -1 94 488.568 8

Activity (Go SEA)

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