UCSF

ZINC41584868

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 No

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) 4.82 13.28 -51.5 2 6 1 63 494.615 5
Hi High (pH 8-9.5) 4.82 11.56 -46.17 0 6 -1 65 492.599 5
Mid Mid (pH 6-8) 4.82 13.24 -50.57 2 6 1 63 494.615 5
Mid Mid (pH 6-8) 4.82 13.85 -35.55 1 6 0 66 493.607 5
Mid Mid (pH 6-8) 4.82 10.98 -11.7 1 6 0 62 493.607 5

Activity (Go SEA)

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