UCSF

ZINC23357993

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 26 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) 4.99 10.58 -14.52 1 5 0 68 365.458 5
Hi High (pH 8-9.5) 5.06 9.46 -52.33 0 5 -1 74 364.45 5

Activity (Go SEA)

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