UCSF

ZINC31056057

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 31 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) 4.36 8.25 -17.41 1 7 0 94 439.83 5
Hi High (pH 8-9.5) 4.43 6.32 -33.24 0 7 -1 101 438.822 5

Activity (Go SEA)

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