UCSF

ZINC33826872

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 25 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) 3.90 9.86 -38.85 1 3 1 17 359.49 2
Hi High (pH 8-9.5) 3.90 7.49 -4.57 0 3 0 16 358.482 2

Activity (Go SEA)

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