UCSF

ZINC30031825

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2009 20 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) 1.90 6.39 -17.29 1 5 0 66 293.392 5
Hi High (pH 8-9.5) 2.36 5.34 -52.72 0 5 -1 69 292.384 5

Activity (Go SEA)

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