UCSF

ZINC19910053

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 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) 5.04 9.86 -12.36 1 7 0 83 440.492 8
Hi High (pH 8-9.5) 5.04 10.49 -51.56 0 7 -1 86 439.484 8

Activity (Go SEA)

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