UCSF

ZINC31555303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 37 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) 7.31 19.03 -38.02 1 5 1 57 500.659 9
Hi High (pH 8-9.5) 7.31 17.64 -9.15 0 5 0 56 499.651 9

Activity (Go SEA)

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