UCSF

ZINC44277461

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.92 10.4 -86.85 4 5 2 50 356.514 9
Hi High (pH 8-9.5) 2.92 7.93 -46.91 3 5 1 49 355.506 9
Hi High (pH 8-9.5) 2.92 8.08 -37.6 3 5 1 49 355.506 9

Activity (Go SEA)

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