UCSF

ZINC39749519

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 32 No

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) 2.07 9.16 -22.28 2 11 0 148 479.519 9
Hi High (pH 8-9.5) 2.25 7.95 -39.81 1 11 -1 154 478.511 9

Activity (Go SEA)

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