UCSF

ZINC58518091

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 25 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) 1.85 6.73 -33.49 2 6 1 60 345.467 8
Hi High (pH 8-9.5) 1.85 6.61 -15.74 1 6 0 59 344.459 8
Mid Mid (pH 6-8) 1.85 8.87 -46.23 2 6 1 60 345.467 8

Activity (Go SEA)

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