UCSF

ZINC19685507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 22 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) 0.62 5.07 -112.55 4 5 2 60 308.422 4
Hi High (pH 8-9.5) 0.62 3.17 -52.59 3 5 1 59 307.414 4

Activity (Go SEA)

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