UCSF

ZINC33630820

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 30 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) 4.75 10.86 -30.13 2 7 0 87 486.395 4
Hi High (pH 8-9.5) 4.94 9.78 -62.35 1 7 -1 94 485.387 4

Activity (Go SEA)

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