UCSF

ZINC33749358

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 33 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) 4.82 10.28 -28.83 2 7 0 87 475.496 5
Hi High (pH 8-9.5) 5.00 9.22 -60.97 1 7 -1 94 474.488 5

Activity (Go SEA)

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