UCSF

ZINC33833444

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 28 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) 2.53 1.79 -13.08 3 9 0 128 390.344 5
Hi High (pH 8-9.5) 2.53 2.85 -56.62 2 9 -1 131 389.336 5

Activity (Go SEA)

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