UCSF

ZINC33826421

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 22 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) 4.16 9.47 -47.69 2 3 1 33 313.808 1
Hi High (pH 8-9.5) 4.16 8.16 -6.43 1 3 0 28 312.8 1

Activity (Go SEA)

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